data_2kkd_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 2kkd _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.8 mttt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.588 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -93.28 -167.13 1.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.466 ' C ' ' CE1' ' A' ' 49' ' ' PHE . 39.8 t -156.01 155.3 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.414 ' N ' HG13 ' A' ' 5' ' ' VAL . 7.6 t -84.97 145.82 27.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 108.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.0 p -104.82 43.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.1 t -148.18 -45.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 12.3 p -122.35 -50.87 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 108.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.46 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 108.27 85.03 1.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.453 ' CG ' ' O ' ' A' ' 11' ' ' TYR . 10.7 t80 -128.05 86.06 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -49.88 115.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.48 ' CE1' HD11 ' A' ' 33' ' ' LEU . 47.9 t80 -88.02 151.66 22.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.453 ' HB3' ' CB ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -117.68 107.44 44.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.404 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.02 -31.04 6.5 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.47 1.774 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 -7.0 53.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.453 ' CB ' ' HB3' ' A' ' 14' ' ' ASP . 1.4 tp10 -109.47 -56.21 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.42 -134.86 10.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.454 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 1.1 t70 -174.15 108.7 0.3 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.4 Cg_endo -75.0 -36.11 2.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 20' ' ' PRO . 2.5 t70 -37.99 -48.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -100.98 -44.76 5.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.33 83.69 0.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.479 HG22 ' CD2' ' A' ' 33' ' ' LEU . 98.9 t -133.92 148.92 30.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 0.763 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -92.97 163.59 24.93 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.4 Cg_endo -75.0 145.06 31.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.38 12.27 61.56 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 56.8 m -91.72 164.23 13.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -112.94 138.82 49.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.588 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 37.4 t80 -45.17 -52.95 8.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.44 -31.08 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.16 -32.86 72.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.48 HD11 ' CE1' ' A' ' 13' ' ' TYR . 63.2 mt -47.51 157.33 0.57 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.05 166.44 29.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.22 -31.2 62.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.61 2.37 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.451 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 16.3 t90 -85.33 138.0 32.59 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.485 ' CG1' ' HA ' ' A' ' 45' ' ' PRO . 15.7 m -151.07 151.07 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.6 t -43.26 103.23 0.31 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 108.281 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.441 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.0 54.4 3.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.6 t -145.79 -45.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 14.0 p -116.83 -49.31 2.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.316 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.574 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 138.35 -36.62 1.89 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.574 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -25.86 142.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.485 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 18.2 Cg_endo -74.98 156.9 43.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -57.99 -19.14 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.8 -12.66 61.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -105.42 35.18 2.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.466 ' CE1' ' C ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER -124.34 139.36 53.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 111.041 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -141.15 159.67 41.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.62 105.43 17.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -115.21 -173.57 2.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.429 HG11 ' N ' ' A' ' 6' ' ' CYS . 29.8 t -141.71 147.28 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.484 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -44.47 -45.83 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 108.292 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.46 ' C ' ' CG2' ' A' ' 8' ' ' VAL . 19.8 m 71.3 36.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.46 ' CG2' ' C ' ' A' ' 7' ' ' THR . 1.9 t -152.56 -45.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 8.5 p -122.8 -49.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 108.268 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.467 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 133.58 93.57 0.51 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.544 1.152 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 42.7 t80 -155.3 106.65 2.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -88.87 121.47 31.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.425 ' CZ ' HD12 ' A' ' 33' ' ' LEU . 27.2 t80 -95.96 141.16 29.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -110.69 110.33 57.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.495 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.04 -29.17 8.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.86 -5.27 37.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.53 -57.26 2.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.411 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 118.56 -144.92 18.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.565 1.166 . . . . 0.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 24' ' ' VAL . 5.4 t70 -169.41 125.11 0.74 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.57 0.806 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.0 2.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.59 -50.35 5.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' GLY . 5.9 m-80 -110.94 31.76 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 34.54 85.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.052 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' ASP . 2.7 t -122.97 158.38 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 1.6 mtpt -102.62 162.29 20.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.43 38.23 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 84.01 -9.67 62.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 97.5 m -71.37 136.69 47.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 110.437 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 p -86.32 147.62 25.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.585 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 40.8 t80 -51.95 -49.17 63.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.38 -29.27 33.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.33 -28.85 65.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 48.4 mt -52.0 157.89 1.96 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -74.98 164.07 34.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.31 -30.31 64.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -77.18 2.54 15.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.443 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 12.3 t90 -86.67 129.97 34.66 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.451 ' HB ' ' O ' ' A' ' 44' ' ' ALA . 27.0 m -150.28 151.68 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 38' ' ' VAL . 5.7 t -38.54 104.87 0.32 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 108.315 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.563 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.98 44.67 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.404 HG23 ' C ' ' A' ' 40' ' ' PRO . 5.8 t -136.48 -57.87 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.2 p -106.94 -40.69 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.02 18.64 4.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.484 ' CB ' ' SG ' ' A' ' 6' ' ' CYS . . . -62.83 140.23 97.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.797 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.407 ' HG2' ' CD ' ' A' ' 48' ' ' GLU . 18.4 Cg_endo -74.98 141.83 27.17 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.531 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -55.41 -16.85 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -21.19 50.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 6' ' ' CYS . 59.8 mt-10 -97.3 26.83 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CG ' ' CZ ' ' A' ' 30' ' ' PHE . 5.3 m-85 -105.8 134.7 48.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 51' ' ' ALA . 5.7 tt0 -129.14 147.31 50.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 50' ' ' GLU . . . -74.61 126.94 31.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.073 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.596 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -106.19 -170.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 6' ' ' CYS . 84.0 t -145.64 147.86 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 49' ' ' PHE . 0.7 OUTLIER -46.04 -54.52 8.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 108.341 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 6' ' ' CYS . 3.7 m 80.1 29.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.435 HG22 ' SG ' ' A' ' 6' ' ' CYS . 2.5 t -146.35 -44.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 9.8 p -122.73 -49.86 1.98 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 108.275 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.458 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 132.98 100.31 0.74 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.49 1.118 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.535 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 61.8 t80 -162.65 111.04 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.03 122.23 33.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CZ ' HD12 ' A' ' 33' ' ' LEU . 26.2 t80 -96.0 139.74 31.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.41 113.21 60.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' GLY . 18.1 Cg_endo -75.04 -32.03 5.66 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.23 -13.44 62.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -110.3 -55.27 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.65 -132.0 9.67 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 24' ' ' VAL . 1.0 OUTLIER -179.95 121.91 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.75 . . . . 0.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -37.04 2.24 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.473 1.775 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -41.17 -49.33 3.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 23' ' ' GLY . 5.4 m-80 -115.71 35.11 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 22' ' ' ASN . . . 35.24 93.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 19' ' ' ASP . 14.9 t -132.08 146.95 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.96 161.1 32.37 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 145.75 32.01 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 92.49 -19.04 53.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.46 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 51.7 m -59.58 150.23 27.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.413 ' N ' HG21 ' A' ' 28' ' ' THR . 0.8 OUTLIER -105.7 150.55 25.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.953 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.596 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 10.9 t80 -61.29 -34.12 74.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.27 -14.82 53.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.65 -27.33 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.569 HD13 ' CD1' ' A' ' 30' ' ' PHE . 31.6 mt -46.55 153.36 0.77 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.434 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -74.99 137.68 22.06 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.59 -39.48 35.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -28.34 67.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.505 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 27.4 t90 -55.38 139.83 41.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.034 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 37' ' ' TRP . 29.3 m -158.27 149.56 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' VAL . 5.1 t -38.75 104.37 0.31 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 108.3 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.535 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.05 42.52 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.445 HG21 ' CD1' ' A' ' 11' ' ' TYR . 3.5 t -133.42 -53.61 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.42 ' SG ' ' HB1' ' A' ' 44' ' ' ALA . 6.6 p -112.41 -38.26 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 108.296 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.95 15.88 5.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.505 ' CB ' ' SG ' ' A' ' 6' ' ' CYS . . . -59.91 139.0 90.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.43 ' HG2' ' HG3' ' A' ' 48' ' ' GLU . 18.3 Cg_endo -75.03 142.69 28.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -56.19 -16.63 5.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.56 -21.99 47.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 6' ' ' CYS . 93.0 mt-10 -97.0 23.22 7.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 3.1 m-85 -104.94 134.3 48.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -124.52 146.66 48.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.88 118.35 22.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.611 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -103.53 -172.37 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.448 ' C ' ' CD1' ' A' ' 49' ' ' PHE . 2.6 p -148.69 156.49 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.492 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 1.6 t -83.93 140.86 31.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 108.27 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.6 p -94.37 40.63 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -145.44 -43.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 13.8 p -128.24 -50.42 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 108.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.445 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 136.36 -93.6 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.416 1.073 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD1' HG21 ' A' ' 41' ' ' VAL . 55.9 t80 35.22 92.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.755 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.5 128.5 36.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -86.46 145.89 26.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.98 108.88 55.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.464 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.1 Cg_endo -75.02 -31.61 6.04 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.448 1.762 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.84 -7.14 51.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -110.0 -57.64 2.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.47 -133.38 8.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.453 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -176.08 108.98 0.25 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -74.99 -37.31 2.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' PRO . 2.8 t70 -38.84 -46.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -104.45 -30.27 10.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.11 89.09 2.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.493 HG23 ' CD2' ' A' ' 33' ' ' LEU . 42.4 t -135.9 159.1 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.37 160.94 25.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 145.47 31.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.63 9.24 64.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 72.0 m -91.3 155.53 18.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.788 . . . . 0.0 110.368 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.64 146.63 28.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.611 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 28.0 t80 -46.91 -53.45 12.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 110.958 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -45.71 -33.4 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' LEU . 10.8 t70 -65.59 -42.49 91.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.493 ' CD2' HG23 ' A' ' 24' ' ' VAL . 98.8 mt -39.76 150.27 0.25 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.0 177.77 8.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 37' ' ' TRP . . . -75.14 -59.56 2.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -46.01 -24.86 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.476 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 18.8 t90 -58.37 140.55 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 108.028 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 37' ' ' TRP . 9.8 m -159.17 156.19 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.2 t -40.95 104.19 0.33 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 108.323 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.521 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -75.05 49.45 2.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.581 HG21 ' CD1' ' A' ' 11' ' ' TYR . 96.2 t -144.22 -59.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 p -107.36 -21.77 12.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.343 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.2 -0.15 47.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.492 ' CB ' ' SG ' ' A' ' 6' ' ' CYS . . . -47.41 142.5 6.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 148.47 35.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.422 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 5.2 ptmm? -52.73 -20.42 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.7 p -75.39 -12.12 60.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -101.91 31.84 3.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 5' ' ' VAL . 0.7 OUTLIER -126.35 135.72 51.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -148.26 142.78 26.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.21 120.65 11.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -117.2 -171.62 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 6' ' ' CYS . 95.7 t -150.26 144.32 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.587 ' HA ' ' CZ ' ' A' ' 49' ' ' PHE . 1.7 t -41.34 -44.88 2.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.307 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 48' ' ' GLU . 33.5 m 70.71 27.2 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.456 HG22 ' SG ' ' A' ' 6' ' ' CYS . 2.3 t -143.3 -45.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 5.1 p -123.4 -50.08 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 108.293 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.473 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 133.96 106.24 0.92 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CD1' HG23 ' A' ' 41' ' ' VAL . 33.0 t80 -169.63 104.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.783 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.41 117.84 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.417 ' CD2' ' HD2' ' A' ' 30' ' ' PHE . 22.2 t80 -94.65 133.11 38.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.38 113.01 62.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.507 ' HG3' ' CE1' ' A' ' 4' ' ' TYR . 18.4 Cg_endo -74.97 -32.53 5.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.512 1.796 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.98 -11.23 60.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' O ' ' CA ' ' A' ' 26' ' ' PRO . 48.7 tp10 -106.33 -57.45 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.249 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.28 -136.23 11.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 24' ' ' VAL . 4.4 t0 179.58 121.0 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.56 2.51 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -41.69 -51.25 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' GLY . 5.1 m-80 -110.19 33.8 4.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' ASN . . . 37.46 92.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 19' ' ' ASP . 14.3 t -134.74 157.84 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 0.792 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' N ' HG13 ' A' ' 24' ' ' VAL . 11.1 pttt -109.19 159.9 29.54 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.411 ' CA ' ' O ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 147.54 34.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.448 1.762 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.97 6.45 67.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.5 m -87.79 173.27 9.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 110.336 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.09 152.02 49.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.517 ' CE1' ' HB2' ' A' ' 46' ' ' LYS . 10.9 t80 -67.33 -23.26 65.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -74.8 -12.16 60.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.56 -4.82 17.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.503 ' CD1' ' CD2' ' A' ' 30' ' ' PHE . 16.4 mt -59.95 163.27 7.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.413 ' HG2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.0 166.82 28.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.15 14.72 8.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.23 7.04 7.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.413 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . 28.9 t90 -84.98 135.93 33.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.467 ' O ' ' C ' ' A' ' 39' ' ' CYS . 28.2 m -150.86 145.19 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.467 ' C ' ' O ' ' A' ' 38' ' ' VAL . 4.5 t -37.34 104.94 0.29 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.289 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.512 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.01 46.52 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.589 HG23 ' CD1' ' A' ' 11' ' ' TYR . 9.6 t -138.62 -52.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.2 p -112.25 -41.08 3.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 108.282 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.05 17.53 3.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.517 ' CB ' ' SG ' ' A' ' 6' ' ' CYS . . . -61.81 140.09 95.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.441 ' CG ' ' OE2' ' A' ' 48' ' ' GLU . 18.4 Cg_endo -74.98 142.54 28.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.517 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -54.21 -18.41 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.99 -22.49 53.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.49 ' O ' ' O ' ' A' ' 6' ' ' CYS . 50.9 mt-10 -95.67 25.48 4.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.587 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 3.3 m-85 -110.47 135.17 51.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -130.37 149.39 52.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.09 110.84 19.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -113.39 -171.03 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 4' ' ' TYR . 49.2 t -157.45 159.38 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.464 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 2.1 t -87.0 138.31 31.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.6 p -77.44 -34.63 54.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.449 ' CG2' ' OE1' ' A' ' 48' ' ' GLU . 21.8 t -65.0 -83.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 9.2 p -88.48 -53.43 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 108.319 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.512 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 101.34 98.89 2.36 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CG ' HG21 ' A' ' 41' ' ' VAL . 17.0 t80 -132.81 83.47 2.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 0.753 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' TYR . 45.5 tt0 -35.61 118.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.497 ' CZ ' HD13 ' A' ' 33' ' ' LEU . 36.2 t80 -89.91 145.45 25.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.466 ' HB2' ' CB ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -108.25 105.86 57.44 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.431 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -75.0 -33.16 4.79 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.543 1.812 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.47 -12.82 60.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' CB ' ' HB2' ' A' ' 14' ' ' ASP . 1.1 tp10 -103.54 -56.66 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.23 -133.4 9.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.443 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -176.9 108.85 0.23 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.2 Cg_endo -75.04 -36.58 2.44 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 20' ' ' PRO . 2.4 t70 -37.78 -44.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -107.16 -37.17 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.26 87.17 1.5 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.443 ' HB ' ' N ' ' A' ' 19' ' ' ASP . 53.7 t -137.01 142.91 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -86.8 161.99 45.82 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.3 Cg_endo -74.98 142.86 28.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.73 -9.5 58.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.431 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 92.2 m -74.9 159.39 31.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.408 ' N ' HG21 ' A' ' 28' ' ' THR . 52.2 p -113.66 140.96 47.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.622 ' CD2' HD11 ' A' ' 33' ' ' LEU . 29.9 t80 -56.97 -15.88 5.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -79.81 -2.61 44.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.83 -13.85 12.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.622 HD11 ' CD2' ' A' ' 30' ' ' PHE . 20.4 mt -54.12 151.55 12.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -74.99 137.76 22.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.551 1.816 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.89 -44.12 19.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -33.31 62.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.582 ' CH2' ' HD3' ' A' ' 40' ' ' PRO . 18.2 t90 -54.47 139.63 36.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 39' ' ' CYS . 20.7 m -148.59 150.69 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.6 t -39.95 104.76 0.34 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 108.325 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.582 ' HD3' ' CH2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -75.02 53.81 3.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.473 HG21 ' CG ' ' A' ' 11' ' ' TYR . 46.4 t -147.24 -52.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.3 p -110.75 -37.18 5.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.63 20.62 6.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 39' ' ' CYS . . . -73.44 140.82 79.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.439 0.729 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.411 ' C ' ' N ' ' A' ' 47' ' ' SER . 18.3 Cg_endo -75.03 136.35 20.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.525 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -47.67 -24.19 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -59.15 -21.67 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.996 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' OE1' ' CG2' ' A' ' 8' ' ' VAL . 49.5 mt-10 -89.62 -50.03 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.457 ' CD2' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -35.31 136.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.983 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -134.27 157.43 46.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.65 110.29 21.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -120.05 -176.17 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 6' ' ' CYS . 55.3 t -152.96 154.12 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.481 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 9.6 t -70.93 162.14 29.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 108.302 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.426 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 1.1 p -86.9 -76.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.483 ' CG2' ' SG ' ' A' ' 42' ' ' CYS . 23.2 m -38.89 -47.92 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.412 ' N ' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -122.62 178.7 4.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.315 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 11' ' ' TYR . . . -85.15 -109.0 0.67 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.587 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 52.1 t80 55.56 114.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -98.92 136.86 38.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -90.25 134.34 34.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.444 ' HB3' ' CB ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -106.58 108.03 61.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.464 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.97 -33.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.87 -9.85 59.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 14' ' ' ASP . 4.6 tp10 -109.13 -56.84 2.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.38 -131.6 9.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 24' ' ' VAL . 1.3 t70 -179.52 122.72 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -37.65 1.95 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -44.04 -53.47 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' GLY . 8.7 m-80 -105.81 31.25 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 35.28 91.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 19' ' ' ASP . 82.8 t -133.3 147.24 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -92.56 160.22 35.03 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.64 34.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.91 4.47 69.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.551 1.157 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 84.6 m -82.22 158.85 23.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 0.721 . . . . 0.0 110.379 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 p -110.82 136.96 49.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -56.18 -26.11 49.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -74.01 -3.67 30.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.41 7.61 16.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.444 HD23 ' CD ' ' A' ' 34' ' ' PRO . 17.0 mt -71.38 154.19 93.66 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.444 ' CD ' HD23 ' A' ' 33' ' ' LEU . 18.4 Cg_endo -75.06 156.26 42.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.09 -24.15 65.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.41 5.67 22.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.481 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 26.0 t90 -91.48 146.1 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 108.015 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.481 ' CG1' ' O ' ' A' ' 37' ' ' TRP . 4.8 m -160.39 152.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' ALA . 6.2 t -40.26 102.73 0.27 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.587 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.02 50.58 2.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.543 1.812 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.574 HG22 ' CD1' ' A' ' 11' ' ' TYR . 80.3 t -144.31 -53.88 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.483 ' SG ' ' CG2' ' A' ' 8' ' ' VAL . 1.8 p -113.57 -16.49 12.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.333 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.38 -7.6 58.3 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.451 1.094 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 39' ' ' CYS . . . -42.15 142.02 1.28 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.466 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 18.4 Cg_endo -75.02 153.79 41.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.34 -23.38 15.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.03 -5.23 47.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.44 ' HG3' ' HG2' ' A' ' 45' ' ' PRO . 4.1 mt-10 -104.57 29.22 6.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -120.12 133.97 55.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 51' ' ' ALA . 7.6 tt0 -139.0 147.66 42.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 50' ' ' GLU . . . -80.22 113.33 18.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.525 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -117.55 -173.86 2.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -153.4 147.16 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.579 ' HA ' ' CZ ' ' A' ' 49' ' ' PHE . 6.1 t -43.88 -54.27 5.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 0.0 108.27 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER 80.4 14.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.402 HG23 ' CB ' ' A' ' 44' ' ' ALA . 1.9 t -130.22 -43.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 7.3 p -122.77 -49.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.466 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 127.28 99.01 1.03 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.569 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 73.4 t80 -162.79 88.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 111.009 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -66.33 130.96 44.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.489 ' CZ ' HD12 ' A' ' 33' ' ' LEU . 37.8 t80 -93.17 145.45 24.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -112.29 104.79 56.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.445 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -75.0 -33.26 4.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.22 -10.3 59.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -111.56 -56.37 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.1 -138.18 12.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.422 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -172.7 109.71 0.35 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.4 Cg_endo -75.0 -36.57 2.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 20' ' ' PRO . 3.4 t70 -37.06 -46.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -104.09 -46.34 4.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.66 80.97 0.41 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' A' ' 33' ' ' LEU . 39.5 t -131.66 144.81 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.94 165.2 22.7 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 144.88 31.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.31 -13.71 66.77 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.445 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 22.9 m -62.7 160.63 13.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 0.809 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.42 ' N ' HG22 ' A' ' 28' ' ' THR . 4.0 p -114.37 145.89 41.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 46' ' ' LYS . 19.1 t80 -60.52 -18.8 54.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -78.6 -21.71 48.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.21 5.15 46.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.489 HD12 ' CZ ' ' A' ' 13' ' ' TYR . 15.9 mt -74.41 153.71 87.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.01 160.0 40.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.3 -29.02 61.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -84.4 11.72 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.475 ' CZ3' ' CE2' ' A' ' 30' ' ' PHE . 88.8 t90 -77.86 -55.46 5.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.435 ' O ' ' CE3' ' A' ' 37' ' ' TRP . 35.6 m 42.69 -165.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.3 t -97.4 110.75 56.03 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 108.334 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.569 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 48.66 2.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.49 HG23 ' CD1' ' A' ' 11' ' ' TYR . 3.1 t -143.77 -57.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 14.5 p -106.45 -49.93 3.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 108.317 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.594 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 141.62 -38.32 1.52 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.594 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -24.57 136.27 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.401 ' HG2' ' HG3' ' A' ' 48' ' ' GLU . 18.4 Cg_endo -74.96 158.12 42.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -59.15 -18.76 38.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.16 -14.93 60.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 6' ' ' CYS . 6.3 mt-10 -100.76 31.09 3.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.579 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 5.4 m-85 -113.66 146.22 40.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 111.047 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -153.44 144.49 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.92 122.24 11.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 13' ' ' TYR . 1.8 mmmp? . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.1 -169.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 6' ' ' CYS . 1.2 t -161.23 156.68 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.416 ' N ' HG11 ' A' ' 5' ' ' VAL . 4.5 t -83.15 147.89 27.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.303 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.2 p -78.99 -56.99 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.6 t -48.52 -73.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -97.73 -167.12 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.25 91.87 0.53 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.507 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 10.1 t80 -139.74 115.92 10.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -92.1 131.18 37.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.529 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 24.1 t80 -93.28 143.09 26.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.44 105.83 55.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.459 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.98 -28.45 9.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.59 -6.03 46.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -119.05 -50.11 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.13 -141.21 16.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.42 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 19.7 t70 -168.09 108.83 0.56 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.5 Cg_endo -74.94 -36.31 2.68 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' PRO . 4.2 t70 -36.8 -43.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -107.83 -48.47 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.3 81.2 0.27 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.469 HG23 ' CD2' ' A' ' 33' ' ' LEU . 19.5 t -131.57 138.79 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 mtmm -83.1 163.16 52.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.6 32.97 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.41 -11.34 70.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 95.7 m -67.46 157.13 34.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 110.385 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 p -106.42 159.15 16.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.651 ' CE2' ' CZ3' ' A' ' 37' ' ' TRP . 14.5 t80 -69.79 -16.72 63.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.73 -22.5 50.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.97 13.22 31.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.529 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 28.1 mt -83.32 152.78 65.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -74.94 169.59 22.28 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.67 -31.27 36.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.6 p30 -85.7 16.2 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.651 ' CZ3' ' CE2' ' A' ' 30' ' ' PHE . 81.4 t90 -77.88 -53.03 7.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 107.996 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.45 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 30.9 m 43.37 -162.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' ALA . 8.7 t -101.7 107.82 53.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.01 46.21 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.8 t -140.05 -47.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.3 p -119.67 -45.78 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 139.57 -37.01 1.78 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.563 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -27.0 139.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 48' ' ' GLU . 18.3 Cg_endo -74.95 163.54 35.21 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -61.83 -18.72 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.6 -8.8 57.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.441 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 28.7 mt-10 -107.96 35.39 3.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 1.8 m-85 -116.81 137.21 52.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -131.58 152.86 50.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.52 114.12 20.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.417 ' HE3' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -109.64 -169.85 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.0 t -152.61 135.95 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.0 t -65.6 138.81 58.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' VAL . 67.2 p -78.45 -55.74 4.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' THR . 72.2 t -39.69 -72.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 1.8 p -97.52 -155.48 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 108.278 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.485 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -121.72 65.8 0.48 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.534 ' CG ' HG11 ' A' ' 41' ' ' VAL . 32.0 t80 -111.31 156.84 20.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 0.79 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -136.37 134.08 37.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 43.8 t80 -108.64 150.48 27.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.48 114.23 33.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -32.38 5.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.83 -4.98 41.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -114.2 -56.56 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.03 -134.49 10.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.437 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -176.23 108.55 0.25 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.536 1.808 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' PRO . 1.2 t70 -37.54 -47.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -105.48 -36.68 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.76 87.96 1.44 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.464 HG23 ' CD2' ' A' ' 33' ' ' LEU . 38.5 t -134.08 156.44 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -98.72 160.3 28.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 146.03 32.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.45 -11.17 72.02 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.9 m -65.86 159.17 26.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.439 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 p -111.55 146.73 36.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 46' ' ' LYS . 21.7 t80 -60.07 -32.05 70.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -62.55 -14.13 38.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.66 -28.75 13.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.512 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 22.2 mt -46.7 149.17 1.53 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -74.99 170.79 19.64 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.28 -42.47 25.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.78 -4.59 12.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CE3' ' O ' ' A' ' 38' ' ' VAL . 90.4 t90 -61.99 -52.92 62.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.61 ' O ' ' CE3' ' A' ' 37' ' ' TRP . 27.0 m 41.83 -160.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.461 ' SG ' HG13 ' A' ' 41' ' ' VAL . 12.4 t -103.83 106.36 52.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 108.275 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.542 ' C ' ' CG1' ' A' ' 41' ' ' VAL . 18.3 Cg_endo -74.97 60.7 5.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.542 ' CG1' ' C ' ' A' ' 40' ' ' PRO . 1.9 m -160.87 -41.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 11.6 p -120.44 -46.46 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 108.305 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.64 -41.39 1.46 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.58 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -25.64 138.35 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.46 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.03 164.55 33.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 9.9 pttm -62.34 -20.1 64.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.6 t -72.91 -9.06 58.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.997 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 31.2 mt-10 -107.2 35.19 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -119.19 133.45 55.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -129.2 142.3 50.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.7 131.53 50.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -114.58 -170.73 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 4' ' ' TYR . 69.9 t -158.37 137.2 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.13 135.69 57.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 108.297 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 50' ' ' GLU . 66.1 p -100.93 41.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.468 HG22 ' CB ' ' A' ' 44' ' ' ALA . 26.4 t -140.53 -45.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 8.4 p -123.12 -50.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 108.239 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.469 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 114.22 95.03 2.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.531 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 6.3 t80 -145.65 96.62 2.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 0.754 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -62.35 120.9 11.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.551 ' CE1' HD13 ' A' ' 33' ' ' LEU . 27.9 t80 -92.39 147.93 22.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.89 104.32 51.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.507 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.96 -32.11 5.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.12 -4.73 40.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -116.57 -57.03 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.418 ' CA ' HG13 ' A' ' 24' ' ' VAL . . . 116.61 -135.79 12.29 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 24' ' ' VAL . 0.6 OUTLIER 178.32 121.95 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -75.02 -34.69 3.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' PRO . 4.1 t70 -38.47 -51.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.503 ' ND2' ' CD1' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -117.69 39.05 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 22' ' ' ASN . . . 36.7 94.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' ASP . 14.3 t -133.52 146.8 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -96.59 157.96 34.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.36 37.9 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.11 -11.57 70.47 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.448 1.093 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 76.6 m -70.39 136.78 49.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 110.355 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.7 p -90.21 148.58 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.583 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 15.0 t80 -61.33 -25.26 67.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.89 -10.17 59.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.16 -16.98 14.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 13' ' ' TYR . 13.5 mt -54.86 157.09 5.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.1 Cg_endo -75.04 163.75 34.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.09 -30.34 58.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.1 12.72 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.567 ' CE3' ' O ' ' A' ' 38' ' ' VAL . 86.6 t90 -77.9 -51.77 9.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 107.972 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.567 ' O ' ' CE3' ' A' ' 37' ' ' TRP . 28.7 m 43.04 -165.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.489 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 10.8 t -98.41 108.55 48.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 108.275 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.531 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.04 47.02 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.52 HG23 ' CG ' ' A' ' 11' ' ' TYR . 61.3 t -140.89 -45.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 15.1 p -118.71 -48.36 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 108.305 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.545 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 140.16 -36.98 1.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.545 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -28.41 142.35 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.97 163.28 35.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -62.38 -17.91 60.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.73 -8.94 57.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.031 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.419 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 22.5 mt-10 -107.12 34.51 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.33 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 46' ' ' LYS . 11.0 m-85 -117.09 129.62 56.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.455 ' HB2' ' CG2' ' A' ' 7' ' ' THR . 0.2 OUTLIER -112.36 156.21 22.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.83 106.91 18.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 13' ' ' TYR . 3.3 mptt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -103.84 -167.23 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 p -151.22 161.95 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.3 t -92.97 141.92 27.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 8' ' ' VAL . 64.6 p -71.7 -64.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 44' ' ' ALA . 61.1 t -37.82 -70.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 2.1 p -99.06 -155.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 108.294 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.48 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -130.96 66.67 0.58 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CG ' HG11 ' A' ' 41' ' ' VAL . 10.4 t80 -110.1 124.2 51.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -99.7 126.29 45.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.29 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.436 ' CZ ' HD12 ' A' ' 33' ' ' LEU . 25.8 t80 -94.89 143.98 26.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.21 106.0 57.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.5 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.95 -29.65 8.08 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.35 -2.46 31.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.87 -55.72 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.414 ' CA ' HG13 ' A' ' 24' ' ' VAL . . . 120.4 -139.94 14.04 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -178.57 121.71 0.24 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.2 Cg_endo -75.04 -37.42 2.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -40.12 -45.64 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 23' ' ' GLY . 3.6 m-80 -119.25 34.33 5.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 36.39 91.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 19' ' ' ASP . 14.6 t -132.64 152.16 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -100.21 163.76 17.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 152.71 41.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.1 -7.1 72.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 52.3 m -72.98 150.79 42.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 p -104.75 142.91 33.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.58 ' CD1' HD13 ' A' ' 33' ' ' LEU . 47.9 t80 -49.56 -45.57 47.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.053 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.86 -25.32 27.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -77.11 -34.69 56.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.58 HD13 ' CD1' ' A' ' 30' ' ' PHE . 96.3 mt -45.11 157.18 0.35 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.0 165.53 31.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.38 -30.62 63.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.59 1.68 16.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.452 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 11.5 t90 -85.5 136.75 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 107.993 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.54 ' HB ' ' O ' ' A' ' 44' ' ' ALA . 28.2 m -152.3 145.73 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.467 ' C ' ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -37.22 98.42 0.16 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.333 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.503 ' C ' ' CG1' ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.0 64.4 6.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.517 HG11 ' CG ' ' A' ' 11' ' ' TYR . 1.7 m -158.01 -42.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.452 ' N ' HG23 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -126.18 -46.97 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.312 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.541 ' O ' ' O ' ' A' ' 44' ' ' ALA . . . 140.9 -127.59 3.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.541 ' O ' ' O ' ' A' ' 43' ' ' GLY . . . 56.88 141.95 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.45 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.0 152.2 40.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -53.99 -17.78 2.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.84 -10.87 60.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.416 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 54.2 mt-10 -104.94 34.83 3.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.499 ' CG ' ' CZ ' ' A' ' 30' ' ' PHE . 1.8 m-85 -115.9 135.88 53.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -130.85 159.31 37.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.85 121.34 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -110.08 -174.62 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.416 ' O ' ' CD1' ' A' ' 49' ' ' PHE . 3.2 p -146.04 164.02 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.3 t -88.85 142.7 27.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 108.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.6 p -101.0 39.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.357 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 t -143.14 -46.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 13.9 p -120.63 -50.77 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.454 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 108.46 80.12 1.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -125.35 93.31 3.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.85 121.2 9.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -95.41 144.66 25.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.75 108.32 56.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -32.4 5.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.36 -7.67 50.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -111.51 -55.62 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.34 -134.86 11.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -178.33 120.34 0.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.303 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.88 2.31 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.77 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.96 -50.32 5.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 23' ' ' GLY . 6.2 m-80 -111.51 37.07 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 34.65 91.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 19' ' ' ASP . 16.6 t -135.13 151.26 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -101.38 164.14 16.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.49 39.59 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.59 -12.16 66.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.103 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.4 m -65.1 168.27 6.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 110.43 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.39 143.61 51.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.587 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 12.0 t80 -57.5 -32.64 67.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -69.99 -9.29 54.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.54 9.0 25.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.487 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 20.1 mt -73.76 164.19 62.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.419 ' HG2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.05 167.21 27.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.13 21.19 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.51 9.95 3.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.577 ' CZ2' ' HD3' ' A' ' 40' ' ' PRO . 11.7 t90 -88.73 141.61 28.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 45' ' ' PRO . 15.6 m -149.28 151.65 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.413 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 9.3 t -44.02 103.4 0.32 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 108.251 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.577 ' HD3' ' CZ2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.01 53.94 3.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.797 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.413 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 87.0 t -146.5 -51.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.5 p -112.24 -41.3 3.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.561 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.88 -30.6 3.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.561 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -27.79 141.95 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.569 0.805 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.482 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.98 157.76 42.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 2.3 ptmm? -55.67 -26.74 46.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -9.53 52.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.424 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 11.2 mt-10 -103.65 32.84 3.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER -126.87 136.44 52.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -150.85 159.06 44.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.335 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.45 120.09 25.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.533 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -102.25 -169.17 1.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.9 p -148.51 143.55 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -41.18 -45.65 2.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 108.294 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 34.6 m 69.16 37.6 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.462 ' CG2' ' C ' ' A' ' 7' ' ' THR . 1.8 t -152.64 -44.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.47 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 5.1 p -125.95 -49.99 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 108.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.47 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 136.02 104.13 0.73 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 62.9 t80 -168.34 107.94 0.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -88.84 123.66 33.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.603 ' CE2' HD12 ' A' ' 33' ' ' LEU . 17.5 t80 -99.18 137.98 36.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.13 114.5 62.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.511 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.04 -32.84 4.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.49 -7.12 57.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -129.74 23.49 5.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.96 -140.55 3.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.452 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 3.4 t70 177.1 127.42 0.18 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.593 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -74.96 -168.57 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.593 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 3.7 t70 89.52 -35.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -123.24 -39.65 2.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.89 72.23 0.53 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 19' ' ' ASP . 55.8 t -116.21 126.65 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -83.8 164.28 45.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.3 Cg_endo -74.96 145.49 31.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.01 5.41 62.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 29.2 m -96.14 144.08 26.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.733 . . . . 0.0 110.416 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -96.99 144.42 26.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.578 ' CD2' HD13 ' A' ' 33' ' ' LEU . 14.7 t80 -58.83 -20.5 51.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.73 -8.12 54.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.66 -13.98 15.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.603 HD12 ' CE2' ' A' ' 13' ' ' TYR . 20.1 mt -54.91 150.68 18.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.0 135.0 18.5 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.96 -47.46 8.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -51.91 -37.0 50.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.494 ' N ' ' O ' ' A' ' 34' ' ' PRO . 34.0 t90 -49.01 141.21 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 107.985 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.46 ' O ' ' C ' ' A' ' 39' ' ' CYS . 11.6 m -158.44 148.03 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 38' ' ' VAL . 5.9 t -37.67 103.58 0.27 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 108.293 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.571 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.01 45.83 1.42 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.522 HG23 ' CD1' ' A' ' 11' ' ' TYR . 4.9 t -136.64 -53.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.2 p -111.15 -36.82 5.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 108.297 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.57 17.42 6.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.401 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . . . -63.44 139.83 97.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.737 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.456 ' HG2' ' HG3' ' A' ' 48' ' ' GLU . 18.3 Cg_endo -74.98 143.67 29.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.417 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -56.45 -17.3 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.54 -16.47 58.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.949 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.456 ' HG3' ' HG2' ' A' ' 45' ' ' PRO . 47.6 mt-10 -101.95 22.36 13.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.582 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 4.2 m-85 -104.69 134.63 47.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -127.52 147.7 50.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.78 118.14 22.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.535 ' O ' ' CG2' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -108.31 -171.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.931 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.535 ' CG2' ' O ' ' A' ' 4' ' ' TYR . 63.2 t -159.26 139.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.429 ' N ' HG11 ' A' ' 5' ' ' VAL . 8.4 t -68.47 151.02 47.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 108.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' VAL . 23.9 p -83.26 -65.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.429 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.492 ' CG2' ' OE1' ' A' ' 48' ' ' GLU . 11.5 t -38.97 -52.25 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -125.76 164.7 20.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 108.318 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.88 -97.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.458 ' CG ' ' N ' ' A' ' 12' ' ' GLU . 35.6 t80 51.48 174.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 9.9 pt-20 -164.76 133.46 3.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.444 ' HD2' ' CD1' ' A' ' 4' ' ' TYR . 17.3 t80 -93.48 145.48 24.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.7 106.17 55.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.466 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -75.05 -32.41 5.35 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.38 -4.94 42.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -117.46 -55.96 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.67 -140.42 13.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.444 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -173.31 108.87 0.32 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.75 . . . . 0.0 109.259 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -75.02 -34.82 3.51 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' PRO . 3.1 t70 -36.17 -43.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -111.55 -40.96 4.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.09 87.75 0.97 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.485 HG21 ' CD2' ' A' ' 33' ' ' LEU . 68.8 t -136.39 145.55 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.422 ' N ' HG13 ' A' ' 24' ' ' VAL . 1.6 mttm -89.44 162.64 36.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 147.53 33.81 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.555 1.818 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.4 -18.38 52.37 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 95.8 m -62.66 161.3 12.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 110.431 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.8 p -114.38 143.16 45.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CG ' HD12 ' A' ' 33' ' ' LEU . 17.2 t80 -56.32 -20.08 17.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.12 -20.68 55.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.21 16.05 24.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.547 HD12 ' CG ' ' A' ' 30' ' ' PHE . 19.1 mt -77.19 162.82 68.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.01 171.61 17.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.47 10.63 24.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.46 5.52 10.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.43 ' O ' HG12 ' A' ' 38' ' ' VAL . 48.7 t90 -84.26 144.12 29.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 107.97 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 45' ' ' PRO . 9.9 m -156.73 143.22 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.434 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 8.2 t -40.01 102.67 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.41 ' O ' HG23 ' A' ' 41' ' ' VAL . 18.2 Cg_endo -74.96 48.49 2.0 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.461 1.769 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.434 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 43.7 t -138.39 -49.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.4 p -114.55 -33.43 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 108.285 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.544 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 120.92 -29.98 5.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.039 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -28.38 144.33 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.479 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 18.1 Cg_endo -75.0 159.22 41.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -22.01 57.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -8.38 50.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.492 ' OE1' ' CG2' ' A' ' 8' ' ' VAL . 19.1 mt-10 -107.25 35.13 3.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.491 ' CD2' ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -123.77 138.69 54.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -138.03 145.69 42.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.71 109.04 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.488 0.185 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 6.4 mttt -123.46 14.0 9.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -40.62 108.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.588 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -93.28 -167.13 1.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.466 ' C ' ' CE1' ' A' ' 49' ' ' PHE . 39.8 t -156.01 155.3 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.414 ' N ' HG13 ' A' ' 5' ' ' VAL . 7.6 t -84.97 145.82 27.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 108.311 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.0 p -104.82 43.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.1 t -148.18 -45.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 12.3 p -122.35 -50.87 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 108.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.46 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 108.27 85.03 1.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.453 ' CG ' ' O ' ' A' ' 11' ' ' TYR . 10.7 t80 -128.05 86.06 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -49.88 115.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.258 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.48 ' CE1' HD11 ' A' ' 33' ' ' LEU . 47.9 t80 -88.02 151.66 22.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.453 ' HB3' ' CB ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -117.68 107.44 44.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.404 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.02 -31.04 6.5 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.47 1.774 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 -7.0 53.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' CB ' ' HB3' ' A' ' 14' ' ' ASP . 1.4 tp10 -109.47 -56.21 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.42 -134.86 10.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.454 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 1.1 t70 -174.15 108.7 0.3 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.4 Cg_endo -75.0 -36.11 2.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 20' ' ' PRO . 2.5 t70 -37.99 -48.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -100.98 -44.76 5.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.33 83.69 0.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.479 HG22 ' CD2' ' A' ' 33' ' ' LEU . 98.9 t -133.92 148.92 30.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 0.763 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -92.97 163.59 24.93 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.4 Cg_endo -75.0 145.06 31.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.38 12.27 61.56 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 56.8 m -91.72 164.23 13.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -112.94 138.82 49.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.588 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 37.4 t80 -45.17 -52.95 8.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.44 -31.08 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.16 -32.86 72.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.48 HD11 ' CE1' ' A' ' 13' ' ' TYR . 63.2 mt -47.51 157.33 0.57 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.451 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.05 166.44 29.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.22 -31.2 62.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.61 2.37 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.451 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 16.3 t90 -85.33 138.0 32.59 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.485 ' CG1' ' HA ' ' A' ' 45' ' ' PRO . 15.7 m -151.07 151.07 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.6 t -43.26 103.23 0.31 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 108.281 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.0 54.4 3.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.6 t -145.79 -45.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 14.0 p -116.83 -49.31 2.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.316 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.574 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 138.35 -36.62 1.89 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.574 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -25.86 142.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.485 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 18.2 Cg_endo -74.98 156.9 43.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -57.99 -19.14 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.8 -12.66 61.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -105.42 35.18 2.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.466 ' CE1' ' C ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER -124.34 139.36 53.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 111.041 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -141.15 159.67 41.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -91.62 105.43 17.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.545 0.212 . . . . 0.0 111.026 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 84.39 -168.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? 63.31 115.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -115.21 -173.57 2.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.429 HG11 ' N ' ' A' ' 6' ' ' CYS . 29.8 t -141.71 147.28 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.484 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -44.47 -45.83 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 108.292 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.46 ' C ' ' CG2' ' A' ' 8' ' ' VAL . 19.8 m 71.3 36.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.46 ' CG2' ' C ' ' A' ' 7' ' ' THR . 1.9 t -152.56 -45.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 8.5 p -122.8 -49.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 108.268 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.467 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 133.58 93.57 0.51 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.544 1.152 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 42.7 t80 -155.3 106.65 2.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -88.87 121.47 31.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.425 ' CZ ' HD12 ' A' ' 33' ' ' LEU . 27.2 t80 -95.96 141.16 29.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -110.69 110.33 57.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.495 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.04 -29.17 8.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.86 -5.27 37.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -119.53 -57.26 2.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.411 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 118.56 -144.92 18.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.565 1.166 . . . . 0.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 24' ' ' VAL . 5.4 t70 -169.41 125.11 0.74 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.57 0.806 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.0 2.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.59 -50.35 5.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' GLY . 5.9 m-80 -110.94 31.76 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 34.54 85.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.052 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' ASP . 2.7 t -122.97 158.38 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 1.6 mtpt -102.62 162.29 20.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 150.43 38.23 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.02 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 84.01 -9.67 62.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 97.5 m -71.37 136.69 47.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 110.437 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 p -86.32 147.62 25.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.585 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 40.8 t80 -51.95 -49.17 63.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.38 -29.27 33.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.33 -28.85 65.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 48.4 mt -52.0 157.89 1.96 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -74.98 164.07 34.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.31 -30.31 64.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -77.18 2.54 15.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.443 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 12.3 t90 -86.67 129.97 34.66 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.451 ' HB ' ' O ' ' A' ' 44' ' ' ALA . 27.0 m -150.28 151.68 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 38' ' ' VAL . 5.7 t -38.54 104.87 0.32 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 108.315 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.563 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.98 44.67 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.404 HG23 ' C ' ' A' ' 40' ' ' PRO . 5.8 t -136.48 -57.87 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.2 p -106.94 -40.69 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.02 18.64 4.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.484 ' CB ' ' SG ' ' A' ' 6' ' ' CYS . . . -62.83 140.23 97.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.797 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.407 ' HG2' ' CD ' ' A' ' 48' ' ' GLU . 18.4 Cg_endo -74.98 141.83 27.17 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.531 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -55.41 -16.85 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -21.19 50.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 6' ' ' CYS . 59.8 mt-10 -97.3 26.83 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CG ' ' CZ ' ' A' ' 30' ' ' PHE . 5.3 m-85 -105.8 134.7 48.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 51' ' ' ALA . 5.7 tt0 -129.14 147.31 50.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 50' ' ' GLU . . . -74.61 126.94 31.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.073 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.479 0.181 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.15 148.9 34.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.36 154.06 44.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.596 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -106.19 -170.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.466 HG13 ' N ' ' A' ' 6' ' ' CYS . 84.0 t -145.64 147.86 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.517 ' HA ' ' CZ ' ' A' ' 49' ' ' PHE . 0.7 OUTLIER -46.04 -54.52 8.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 108.341 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 6' ' ' CYS . 3.7 m 80.1 29.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.435 HG22 ' SG ' ' A' ' 6' ' ' CYS . 2.5 t -146.35 -44.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 9.8 p -122.73 -49.86 1.98 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 108.275 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.458 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 132.98 100.31 0.74 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.49 1.118 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.535 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 61.8 t80 -162.65 111.04 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.03 122.23 33.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CZ ' HD12 ' A' ' 33' ' ' LEU . 26.2 t80 -96.0 139.74 31.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.41 113.21 60.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' GLY . 18.1 Cg_endo -75.04 -32.03 5.66 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.23 -13.44 62.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -110.3 -55.27 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.65 -132.0 9.67 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 24' ' ' VAL . 1.0 OUTLIER -179.95 121.91 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.75 . . . . 0.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -37.04 2.24 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.473 1.775 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -41.17 -49.33 3.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 23' ' ' GLY . 5.4 m-80 -115.71 35.11 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 22' ' ' ASN . . . 35.24 93.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.49 ' N ' ' O ' ' A' ' 19' ' ' ASP . 14.9 t -132.08 146.95 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.96 161.1 32.37 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 145.75 32.01 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 92.49 -19.04 53.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.46 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 51.7 m -59.58 150.23 27.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.413 ' N ' HG21 ' A' ' 28' ' ' THR . 0.8 OUTLIER -105.7 150.55 25.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.953 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.596 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 10.9 t80 -61.29 -34.12 74.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.27 -14.82 53.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.65 -27.33 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.569 HD13 ' CD1' ' A' ' 30' ' ' PHE . 31.6 mt -46.55 153.36 0.77 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.434 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -74.99 137.68 22.06 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.59 -39.48 35.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -28.34 67.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.505 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 27.4 t90 -55.38 139.83 41.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.034 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 37' ' ' TRP . 29.3 m -158.27 149.56 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.439 ' C ' ' O ' ' A' ' 38' ' ' VAL . 5.1 t -38.75 104.37 0.31 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 108.3 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.535 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.05 42.52 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.445 HG21 ' CD1' ' A' ' 11' ' ' TYR . 3.5 t -133.42 -53.61 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.42 ' SG ' ' HB1' ' A' ' 44' ' ' ALA . 6.6 p -112.41 -38.26 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 108.296 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.95 15.88 5.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.505 ' CB ' ' SG ' ' A' ' 6' ' ' CYS . . . -59.91 139.0 90.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.43 ' HG2' ' HG3' ' A' ' 48' ' ' GLU . 18.3 Cg_endo -75.03 142.69 28.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.555 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -56.19 -16.63 5.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.56 -21.99 47.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 6' ' ' CYS . 93.0 mt-10 -97.0 23.22 7.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.517 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 3.1 m-85 -104.94 134.3 48.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -124.52 146.66 48.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.88 118.35 22.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.494 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.471 0.176 . . . . 0.0 110.967 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER 87.25 -149.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? 63.3 117.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.611 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -103.53 -172.37 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.448 ' C ' ' CD1' ' A' ' 49' ' ' PHE . 2.6 p -148.69 156.49 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.492 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 1.6 t -83.93 140.86 31.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 108.27 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.6 p -94.37 40.63 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.2 t -145.44 -43.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 13.8 p -128.24 -50.42 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 108.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.445 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 136.36 -93.6 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.416 1.073 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.581 ' CD1' HG21 ' A' ' 41' ' ' VAL . 55.9 t80 35.22 92.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.755 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.5 128.5 36.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -86.46 145.89 26.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.98 108.88 55.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.1 Cg_endo -75.02 -31.61 6.04 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.448 1.762 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.84 -7.14 51.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -110.0 -57.64 2.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.47 -133.38 8.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.453 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -176.08 108.98 0.25 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -74.99 -37.31 2.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' PRO . 2.8 t70 -38.84 -46.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -104.45 -30.27 10.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.11 89.09 2.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.493 HG23 ' CD2' ' A' ' 33' ' ' LEU . 42.4 t -135.9 159.1 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.37 160.94 25.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 145.47 31.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.63 9.24 64.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 72.0 m -91.3 155.53 18.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.788 . . . . 0.0 110.368 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.64 146.63 28.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.611 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 28.0 t80 -46.91 -53.45 12.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 110.958 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -45.71 -33.4 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.405 ' O ' ' C ' ' A' ' 33' ' ' LEU . 10.8 t70 -65.59 -42.49 91.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.493 ' CD2' HG23 ' A' ' 24' ' ' VAL . 98.8 mt -39.76 150.27 0.25 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.0 177.77 8.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 37' ' ' TRP . . . -75.14 -59.56 2.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -46.01 -24.86 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.476 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 18.8 t90 -58.37 140.55 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 108.028 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 37' ' ' TRP . 9.8 m -159.17 156.19 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.2 t -40.95 104.19 0.33 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 108.323 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.521 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -75.05 49.45 2.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.581 HG21 ' CD1' ' A' ' 11' ' ' TYR . 96.2 t -144.22 -59.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 p -107.36 -21.77 12.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.343 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.2 -0.15 47.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.492 ' CB ' ' SG ' ' A' ' 6' ' ' CYS . . . -47.41 142.5 6.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 148.47 35.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.422 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 5.2 ptmm? -52.73 -20.42 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.7 p -75.39 -12.12 60.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -101.91 31.84 3.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 5' ' ' VAL . 0.7 OUTLIER -126.35 135.72 51.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -148.26 142.78 26.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.21 120.65 11.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.498 0.19 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -77.11 -169.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt 68.83 116.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -117.2 -171.62 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 6' ' ' CYS . 95.7 t -150.26 144.32 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.587 ' HA ' ' CZ ' ' A' ' 49' ' ' PHE . 1.7 t -41.34 -44.88 2.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.307 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.414 ' HB ' ' O ' ' A' ' 48' ' ' GLU . 33.5 m 70.71 27.2 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.456 HG22 ' SG ' ' A' ' 6' ' ' CYS . 2.3 t -143.3 -45.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 5.1 p -123.4 -50.08 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 108.293 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.473 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 133.96 106.24 0.92 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.589 ' CD1' HG23 ' A' ' 41' ' ' VAL . 33.0 t80 -169.63 104.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.783 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.41 117.84 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.417 ' CD2' ' HD2' ' A' ' 30' ' ' PHE . 22.2 t80 -94.65 133.11 38.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.38 113.01 62.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.507 ' HG3' ' CE1' ' A' ' 4' ' ' TYR . 18.4 Cg_endo -74.97 -32.53 5.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.512 1.796 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.98 -11.23 60.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' O ' ' CA ' ' A' ' 26' ' ' PRO . 48.7 tp10 -106.33 -57.45 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.249 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.28 -136.23 11.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 24' ' ' VAL . 4.4 t0 179.58 121.0 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.56 2.51 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -41.69 -51.25 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' GLY . 5.1 m-80 -110.19 33.8 4.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' ASN . . . 37.46 92.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 19' ' ' ASP . 14.3 t -134.74 157.84 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 0.792 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' N ' HG13 ' A' ' 24' ' ' VAL . 11.1 pttt -109.19 159.9 29.54 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' CA ' ' O ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 147.54 34.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.448 1.762 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.97 6.45 67.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.5 m -87.79 173.27 9.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 110.336 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.09 152.02 49.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.517 ' CE1' ' HB2' ' A' ' 46' ' ' LYS . 10.9 t80 -67.33 -23.26 65.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -74.8 -12.16 60.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.56 -4.82 17.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.503 ' CD1' ' CD2' ' A' ' 30' ' ' PHE . 16.4 mt -59.95 163.27 7.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.413 ' HG2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.0 166.82 28.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.15 14.72 8.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.23 7.04 7.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.413 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . 28.9 t90 -84.98 135.93 33.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.467 ' O ' ' C ' ' A' ' 39' ' ' CYS . 28.2 m -150.86 145.19 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.467 ' C ' ' O ' ' A' ' 38' ' ' VAL . 4.5 t -37.34 104.94 0.29 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.289 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.512 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.01 46.52 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.589 HG23 ' CD1' ' A' ' 11' ' ' TYR . 9.6 t -138.62 -52.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.2 p -112.25 -41.08 3.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 108.282 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.05 17.53 3.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.517 ' CB ' ' SG ' ' A' ' 6' ' ' CYS . . . -61.81 140.09 95.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.441 ' CG ' ' OE2' ' A' ' 48' ' ' GLU . 18.4 Cg_endo -74.98 142.54 28.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.517 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -54.21 -18.41 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.99 -22.49 53.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.49 ' O ' ' O ' ' A' ' 6' ' ' CYS . 50.9 mt-10 -95.67 25.48 4.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.587 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 3.3 m-85 -110.47 135.17 51.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -130.37 149.39 52.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -86.09 110.84 19.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mtt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.521 0.201 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.433 ' HA ' ' CE ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -158.66 -165.91 1.77 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt 69.45 121.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -113.39 -171.03 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 4' ' ' TYR . 49.2 t -157.45 159.38 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.464 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 2.1 t -87.0 138.31 31.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.6 p -77.44 -34.63 54.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.449 ' CG2' ' OE1' ' A' ' 48' ' ' GLU . 21.8 t -65.0 -83.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 9.2 p -88.48 -53.43 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 108.319 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.512 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 101.34 98.89 2.36 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CG ' HG21 ' A' ' 41' ' ' VAL . 17.0 t80 -132.81 83.47 2.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 0.753 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' TYR . 45.5 tt0 -35.61 118.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.497 ' CZ ' HD13 ' A' ' 33' ' ' LEU . 36.2 t80 -89.91 145.45 25.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' HB2' ' CB ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -108.25 105.86 57.44 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.431 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -75.0 -33.16 4.79 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.543 1.812 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.47 -12.82 60.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' CB ' ' HB2' ' A' ' 14' ' ' ASP . 1.1 tp10 -103.54 -56.66 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.23 -133.4 9.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.443 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -176.9 108.85 0.23 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.2 Cg_endo -75.04 -36.58 2.44 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 20' ' ' PRO . 2.4 t70 -37.78 -44.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -107.16 -37.17 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.26 87.17 1.5 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.443 ' HB ' ' N ' ' A' ' 19' ' ' ASP . 53.7 t -137.01 142.91 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -86.8 161.99 45.82 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.3 Cg_endo -74.98 142.86 28.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.73 -9.5 58.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.431 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 92.2 m -74.9 159.39 31.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.408 ' N ' HG21 ' A' ' 28' ' ' THR . 52.2 p -113.66 140.96 47.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.622 ' CD2' HD11 ' A' ' 33' ' ' LEU . 29.9 t80 -56.97 -15.88 5.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -79.81 -2.61 44.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.83 -13.85 12.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.622 HD11 ' CD2' ' A' ' 30' ' ' PHE . 20.4 mt -54.12 151.55 12.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -74.99 137.76 22.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.551 1.816 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.89 -44.12 19.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.17 -33.31 62.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.582 ' CH2' ' HD3' ' A' ' 40' ' ' PRO . 18.2 t90 -54.47 139.63 36.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 39' ' ' CYS . 20.7 m -148.59 150.69 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.6 t -39.95 104.76 0.34 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 108.325 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.582 ' HD3' ' CH2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -75.02 53.81 3.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.473 HG21 ' CG ' ' A' ' 11' ' ' TYR . 46.4 t -147.24 -52.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.3 p -110.75 -37.18 5.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.63 20.62 6.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 39' ' ' CYS . . . -73.44 140.82 79.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.439 0.729 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.411 ' C ' ' N ' ' A' ' 47' ' ' SER . 18.3 Cg_endo -75.03 136.35 20.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.525 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -47.67 -24.19 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -59.15 -21.67 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.996 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' OE1' ' CG2' ' A' ' 8' ' ' VAL . 49.5 mt-10 -89.62 -50.03 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.457 ' CD2' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -35.31 136.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.983 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -134.27 157.43 46.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.65 110.29 21.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.521 0.2 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.58 148.81 14.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.46 155.87 26.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -120.05 -176.17 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 6' ' ' CYS . 55.3 t -152.96 154.12 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.481 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 9.6 t -70.93 162.14 29.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 108.302 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.426 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 1.1 p -86.9 -76.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.483 ' CG2' ' SG ' ' A' ' 42' ' ' CYS . 23.2 m -38.89 -47.92 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.412 ' N ' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -122.62 178.7 4.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.315 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 11' ' ' TYR . . . -85.15 -109.0 0.67 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.587 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 52.1 t80 55.56 114.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -98.92 136.86 38.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -90.25 134.34 34.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.444 ' HB3' ' CB ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -106.58 108.03 61.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.97 -33.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.87 -9.85 59.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 14' ' ' ASP . 4.6 tp10 -109.13 -56.84 2.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.38 -131.6 9.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 24' ' ' VAL . 1.3 t70 -179.52 122.72 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -37.65 1.95 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -44.04 -53.47 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' GLY . 8.7 m-80 -105.81 31.25 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 35.28 91.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 19' ' ' ASP . 82.8 t -133.3 147.24 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -92.56 160.22 35.03 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.64 34.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.91 4.47 69.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.551 1.157 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 84.6 m -82.22 158.85 23.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 0.721 . . . . 0.0 110.379 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 p -110.82 136.96 49.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -56.18 -26.11 49.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 111.023 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -74.01 -3.67 30.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.41 7.61 16.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.444 HD23 ' CD ' ' A' ' 34' ' ' PRO . 17.0 mt -71.38 154.19 93.66 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.444 ' CD ' HD23 ' A' ' 33' ' ' LEU . 18.4 Cg_endo -75.06 156.26 42.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.09 -24.15 65.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.41 5.67 22.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.481 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 26.0 t90 -91.48 146.1 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 108.015 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.481 ' CG1' ' O ' ' A' ' 37' ' ' TRP . 4.8 m -160.39 152.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.507 ' N ' ' O ' ' A' ' 44' ' ' ALA . 6.2 t -40.26 102.73 0.27 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.587 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.02 50.58 2.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.543 1.812 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.574 HG22 ' CD1' ' A' ' 11' ' ' TYR . 80.3 t -144.31 -53.88 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.483 ' SG ' ' CG2' ' A' ' 8' ' ' VAL . 1.8 p -113.57 -16.49 12.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.333 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.38 -7.6 58.3 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.451 1.094 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.507 ' O ' ' N ' ' A' ' 39' ' ' CYS . . . -42.15 142.02 1.28 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.466 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 18.4 Cg_endo -75.02 153.79 41.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.34 -23.38 15.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.03 -5.23 47.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.44 ' HG3' ' HG2' ' A' ' 45' ' ' PRO . 4.1 mt-10 -104.57 29.22 6.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -120.12 133.97 55.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 51' ' ' ALA . 7.6 tt0 -139.0 147.66 42.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.406 ' N ' ' HG3' ' A' ' 50' ' ' GLU . . . -80.22 113.33 18.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.494 ' CG ' ' O ' ' A' ' 1' ' ' MET . 1.5 ptm . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.486 0.184 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.489 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 1.8 mtmt 67.12 179.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 2' ' ' LYS . 2.9 mmtt -33.47 127.79 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.525 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -117.55 -173.86 2.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -153.4 147.16 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.579 ' HA ' ' CZ ' ' A' ' 49' ' ' PHE . 6.1 t -43.88 -54.27 5.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 0.0 108.27 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.467 ' CB ' ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER 80.4 14.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.402 HG23 ' CB ' ' A' ' 44' ' ' ALA . 1.9 t -130.22 -43.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 7.3 p -122.77 -49.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.466 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 127.28 99.01 1.03 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.569 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 73.4 t80 -162.79 88.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 111.009 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -66.33 130.96 44.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.489 ' CZ ' HD12 ' A' ' 33' ' ' LEU . 37.8 t80 -93.17 145.45 24.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -112.29 104.79 56.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -75.0 -33.26 4.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.22 -10.3 59.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -111.56 -56.37 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.1 -138.18 12.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.422 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -172.7 109.71 0.35 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.4 Cg_endo -75.0 -36.57 2.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 20' ' ' PRO . 3.4 t70 -37.06 -46.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -104.09 -46.34 4.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.66 80.97 0.41 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.481 HG22 ' CD2' ' A' ' 33' ' ' LEU . 39.5 t -131.66 144.81 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.94 165.2 22.7 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 144.88 31.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 111.034 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.31 -13.71 66.77 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.445 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 22.9 m -62.7 160.63 13.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 0.809 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.42 ' N ' HG22 ' A' ' 28' ' ' THR . 4.0 p -114.37 145.89 41.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 46' ' ' LYS . 19.1 t80 -60.52 -18.8 54.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -78.6 -21.71 48.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.21 5.15 46.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.489 HD12 ' CZ ' ' A' ' 13' ' ' TYR . 15.9 mt -74.41 153.71 87.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.01 160.0 40.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.3 -29.02 61.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -84.4 11.72 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.475 ' CZ3' ' CE2' ' A' ' 30' ' ' PHE . 88.8 t90 -77.86 -55.46 5.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.435 ' O ' ' CE3' ' A' ' 37' ' ' TRP . 35.6 m 42.69 -165.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.3 t -97.4 110.75 56.03 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 108.334 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.569 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 48.66 2.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.49 HG23 ' CD1' ' A' ' 11' ' ' TYR . 3.1 t -143.77 -57.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 14.5 p -106.45 -49.93 3.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 108.317 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.594 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 141.62 -38.32 1.52 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.594 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -24.57 136.27 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.401 ' HG2' ' HG3' ' A' ' 48' ' ' GLU . 18.4 Cg_endo -74.96 158.12 42.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -59.15 -18.76 38.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.16 -14.93 60.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.461 ' O ' ' O ' ' A' ' 6' ' ' CYS . 6.3 mt-10 -100.76 31.09 3.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.579 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 5.4 m-85 -113.66 146.22 40.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 111.047 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -153.44 144.49 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.434 ' HB2' ' CG ' ' A' ' 1' ' ' MET . . . -56.92 122.24 11.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 mtt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.498 0.19 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.572 ' HG3' ' CE2' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -144.85 116.31 8.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.222 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.437 ' NZ ' ' O ' ' A' ' 13' ' ' TYR . 1.8 mmmp? -91.52 124.31 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.572 ' CE2' ' HG3' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -103.1 -169.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 6' ' ' CYS . 1.2 t -161.23 156.68 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.416 ' N ' HG11 ' A' ' 5' ' ' VAL . 4.5 t -83.15 147.89 27.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.303 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 38.2 p -78.99 -56.99 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.428 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.6 t -48.52 -73.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -97.73 -167.12 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.25 91.87 0.53 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.507 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 10.1 t80 -139.74 115.92 10.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -92.1 131.18 37.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.529 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 24.1 t80 -93.28 143.09 26.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.44 105.83 55.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.459 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.98 -28.45 9.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.59 -6.03 46.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -119.05 -50.11 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.13 -141.21 16.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.42 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 19.7 t70 -168.09 108.83 0.56 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.5 Cg_endo -74.94 -36.31 2.68 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' PRO . 4.2 t70 -36.8 -43.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -107.83 -48.47 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.3 81.2 0.27 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.469 HG23 ' CD2' ' A' ' 33' ' ' LEU . 19.5 t -131.57 138.79 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 mtmm -83.1 163.16 52.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 146.6 32.97 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.41 -11.34 70.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 95.7 m -67.46 157.13 34.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 110.385 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 p -106.42 159.15 16.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.651 ' CE2' ' CZ3' ' A' ' 37' ' ' TRP . 14.5 t80 -69.79 -16.72 63.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.73 -22.5 50.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.97 13.22 31.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.529 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 28.1 mt -83.32 152.78 65.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -74.94 169.59 22.28 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.67 -31.27 36.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.6 p30 -85.7 16.2 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.651 ' CZ3' ' CE2' ' A' ' 30' ' ' PHE . 81.4 t90 -77.88 -53.03 7.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 107.996 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.45 ' HB ' ' O ' ' A' ' 43' ' ' GLY . 30.9 m 43.37 -162.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' ALA . 8.7 t -101.7 107.82 53.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.01 46.21 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.8 t -140.05 -47.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.3 p -119.67 -45.78 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 139.57 -37.01 1.78 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.563 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -27.0 139.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 48' ' ' GLU . 18.3 Cg_endo -74.95 163.54 35.21 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -61.83 -18.72 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.6 -8.8 57.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.441 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 28.7 mt-10 -107.96 35.39 3.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 1.8 m-85 -116.81 137.21 52.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -131.58 152.86 50.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.52 114.12 20.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.496 0.189 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.35 138.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.417 ' HE3' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -124.74 153.84 41.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -109.64 -169.85 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.0 t -152.61 135.95 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.0 t -65.6 138.81 58.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' VAL . 67.2 p -78.45 -55.74 4.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 7' ' ' THR . 72.2 t -39.69 -72.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 1.8 p -97.52 -155.48 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 108.278 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.485 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -121.72 65.8 0.48 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.534 ' CG ' HG11 ' A' ' 41' ' ' VAL . 32.0 t80 -111.31 156.84 20.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 0.79 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -136.37 134.08 37.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.512 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 43.8 t80 -108.64 150.48 27.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.48 114.23 33.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -32.38 5.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.83 -4.98 41.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -114.2 -56.56 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.03 -134.49 10.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -176.23 108.55 0.25 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.536 1.808 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' PRO . 1.2 t70 -37.54 -47.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -105.48 -36.68 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.76 87.96 1.44 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.464 HG23 ' CD2' ' A' ' 33' ' ' LEU . 38.5 t -134.08 156.44 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -98.72 160.3 28.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 146.03 32.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.45 -11.17 72.02 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.9 m -65.86 159.17 26.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.439 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 p -111.55 146.73 36.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.581 ' CZ ' ' HB2' ' A' ' 46' ' ' LYS . 21.7 t80 -60.07 -32.05 70.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -62.55 -14.13 38.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.66 -28.75 13.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.512 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 22.2 mt -46.7 149.17 1.53 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.441 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -74.99 170.79 19.64 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.28 -42.47 25.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.78 -4.59 12.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CE3' ' O ' ' A' ' 38' ' ' VAL . 90.4 t90 -61.99 -52.92 62.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.61 ' O ' ' CE3' ' A' ' 37' ' ' TRP . 27.0 m 41.83 -160.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.461 ' SG ' HG13 ' A' ' 41' ' ' VAL . 12.4 t -103.83 106.36 52.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 108.275 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.542 ' C ' ' CG1' ' A' ' 41' ' ' VAL . 18.3 Cg_endo -74.97 60.7 5.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.542 ' CG1' ' C ' ' A' ' 40' ' ' PRO . 1.9 m -160.87 -41.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 11.6 p -120.44 -46.46 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 108.305 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.64 -41.39 1.46 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.58 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -25.64 138.35 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.46 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.03 164.55 33.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 9.9 pttm -62.34 -20.1 64.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.6 t -72.91 -9.06 58.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.997 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 31.2 mt-10 -107.2 35.19 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -119.19 133.45 55.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -129.2 142.3 50.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.7 131.53 50.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.466 0.174 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.44 175.66 9.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.92 145.62 47.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -114.58 -170.73 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 4' ' ' TYR . 69.9 t -158.37 137.2 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.13 135.69 57.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 108.297 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 50' ' ' GLU . 66.1 p -100.93 41.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.468 HG22 ' CB ' ' A' ' 44' ' ' ALA . 26.4 t -140.53 -45.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 8.4 p -123.12 -50.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 108.239 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.469 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 114.22 95.03 2.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.531 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 6.3 t80 -145.65 96.62 2.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 0.754 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -62.35 120.9 11.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.551 ' CE1' HD13 ' A' ' 33' ' ' LEU . 27.9 t80 -92.39 147.93 22.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.89 104.32 51.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.507 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.96 -32.11 5.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.12 -4.73 40.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -116.57 -57.03 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.418 ' CA ' HG13 ' A' ' 24' ' ' VAL . . . 116.61 -135.79 12.29 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 24' ' ' VAL . 0.6 OUTLIER 178.32 121.95 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -75.02 -34.69 3.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' PRO . 4.1 t70 -38.47 -51.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.503 ' ND2' ' CD1' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -117.69 39.05 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 22' ' ' ASN . . . 36.7 94.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' ASP . 14.3 t -133.52 146.8 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -96.59 157.96 34.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 150.36 37.9 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.11 -11.57 70.47 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.448 1.093 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 76.6 m -70.39 136.78 49.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 110.355 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.7 p -90.21 148.58 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.583 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 15.0 t80 -61.33 -25.26 67.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.89 -10.17 59.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.16 -16.98 14.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.551 HD13 ' CE1' ' A' ' 13' ' ' TYR . 13.5 mt -54.86 157.09 5.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.1 Cg_endo -75.04 163.75 34.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.09 -30.34 58.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.1 12.72 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.567 ' CE3' ' O ' ' A' ' 38' ' ' VAL . 86.6 t90 -77.9 -51.77 9.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 107.972 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.567 ' O ' ' CE3' ' A' ' 37' ' ' TRP . 28.7 m 43.04 -165.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.489 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 10.8 t -98.41 108.55 48.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 108.275 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.531 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.04 47.02 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.52 HG23 ' CG ' ' A' ' 11' ' ' TYR . 61.3 t -140.89 -45.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 15.1 p -118.71 -48.36 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 108.305 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.545 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 140.16 -36.98 1.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.545 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -28.41 142.35 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.472 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.97 163.28 35.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -62.38 -17.91 60.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.73 -8.94 57.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.031 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.419 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 22.5 mt-10 -107.12 34.51 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.33 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 46' ' ' LYS . 11.0 m-85 -117.09 129.62 56.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.455 ' HB2' ' CG2' ' A' ' 7' ' ' THR . 0.2 OUTLIER -112.36 156.21 22.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.83 106.91 18.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.923 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.547 0.213 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.584 ' O ' ' CE1' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -136.65 149.92 48.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 13' ' ' TYR . 3.3 mptt -84.13 121.3 27.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.584 ' CE1' ' O ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -103.84 -167.23 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.6 p -151.22 161.95 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.3 t -92.97 141.92 27.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.437 ' O ' ' C ' ' A' ' 8' ' ' VAL . 64.6 p -71.7 -64.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.454 ' CG2' ' HB3' ' A' ' 44' ' ' ALA . 61.1 t -37.82 -70.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 2.1 p -99.06 -155.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 108.294 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.48 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -130.96 66.67 0.58 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.517 ' CG ' HG11 ' A' ' 41' ' ' VAL . 10.4 t80 -110.1 124.2 51.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -99.7 126.29 45.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.29 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.436 ' CZ ' HD12 ' A' ' 33' ' ' LEU . 25.8 t80 -94.89 143.98 26.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.21 106.0 57.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.5 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.95 -29.65 8.08 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.35 -2.46 31.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -118.87 -55.72 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.414 ' CA ' HG13 ' A' ' 24' ' ' VAL . . . 120.4 -139.94 14.04 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -178.57 121.71 0.24 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.2 Cg_endo -75.04 -37.42 2.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -40.12 -45.64 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 23' ' ' GLY . 3.6 m-80 -119.25 34.33 5.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 36.39 91.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 19' ' ' ASP . 14.6 t -132.64 152.16 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -100.21 163.76 17.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 152.71 41.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 0.0 110.998 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.1 -7.1 72.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 52.3 m -72.98 150.79 42.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 p -104.75 142.91 33.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.58 ' CD1' HD13 ' A' ' 33' ' ' LEU . 47.9 t80 -49.56 -45.57 47.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.053 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.86 -25.32 27.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -77.11 -34.69 56.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.58 HD13 ' CD1' ' A' ' 30' ' ' PHE . 96.3 mt -45.11 157.18 0.35 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.0 165.53 31.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.38 -30.62 63.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.59 1.68 16.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.452 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 11.5 t90 -85.5 136.75 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 107.993 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.54 ' HB ' ' O ' ' A' ' 44' ' ' ALA . 28.2 m -152.3 145.73 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.467 ' C ' ' O ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -37.22 98.42 0.16 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.333 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.503 ' C ' ' CG1' ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.0 64.4 6.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.517 HG11 ' CG ' ' A' ' 11' ' ' TYR . 1.7 m -158.01 -42.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.452 ' N ' HG23 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -126.18 -46.97 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.312 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.541 ' O ' ' O ' ' A' ' 44' ' ' ALA . . . 140.9 -127.59 3.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.541 ' O ' ' O ' ' A' ' 43' ' ' GLY . . . 56.88 141.95 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.45 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.0 152.2 40.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -53.99 -17.78 2.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.84 -10.87 60.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.416 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 54.2 mt-10 -104.94 34.83 3.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.499 ' CG ' ' CZ ' ' A' ' 30' ' ' PHE . 1.8 m-85 -115.9 135.88 53.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -130.85 159.31 37.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.85 121.34 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.481 0.181 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.59 154.51 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt 42.15 91.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -110.08 -174.62 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.416 ' O ' ' CD1' ' A' ' 49' ' ' PHE . 3.2 p -146.04 164.02 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.3 t -88.85 142.7 27.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 108.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.6 p -101.0 39.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.357 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 t -143.14 -46.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 13.9 p -120.63 -50.77 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.454 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 108.46 80.12 1.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -125.35 93.31 3.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.85 121.2 9.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -95.41 144.66 25.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.75 108.32 56.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -32.4 5.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.36 -7.67 50.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -111.51 -55.62 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 117.34 -134.86 11.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -178.33 120.34 0.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.303 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.88 2.31 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.77 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.96 -50.32 5.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 23' ' ' GLY . 6.2 m-80 -111.51 37.07 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 34.65 91.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.507 ' N ' ' O ' ' A' ' 19' ' ' ASP . 16.6 t -135.13 151.26 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -101.38 164.14 16.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.49 39.59 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.59 -12.16 66.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.103 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 79.4 m -65.1 168.27 6.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 110.43 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.39 143.61 51.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.587 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 12.0 t80 -57.5 -32.64 67.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -69.99 -9.29 54.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.54 9.0 25.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.487 ' CD1' ' HA ' ' A' ' 30' ' ' PHE . 20.1 mt -73.76 164.19 62.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.419 ' HG2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.05 167.21 27.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.13 21.19 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.51 9.95 3.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.577 ' CZ2' ' HD3' ' A' ' 40' ' ' PRO . 11.7 t90 -88.73 141.61 28.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 45' ' ' PRO . 15.6 m -149.28 151.65 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.413 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 9.3 t -44.02 103.4 0.32 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 108.251 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.577 ' HD3' ' CZ2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.01 53.94 3.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.797 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.413 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 87.0 t -146.5 -51.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.5 p -112.24 -41.3 3.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.561 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.88 -30.6 3.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.561 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -27.79 141.95 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.569 0.805 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.482 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.98 157.76 42.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 2.3 ptmm? -55.67 -26.74 46.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -9.53 52.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.424 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 11.2 mt-10 -103.65 32.84 3.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER -126.87 136.44 52.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -150.85 159.06 44.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.335 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.45 120.09 25.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtm . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.467 0.175 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER 51.67 178.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 2' ' ' LYS . 26.0 mmtp 42.27 91.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.533 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -102.25 -169.17 1.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.9 p -148.51 143.55 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.582 ' HA ' ' CZ ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -41.18 -45.65 2.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 108.294 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 6' ' ' CYS . 34.6 m 69.16 37.6 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.462 ' CG2' ' C ' ' A' ' 7' ' ' THR . 1.8 t -152.64 -44.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.47 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 5.1 p -125.95 -49.99 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 108.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.47 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 136.02 104.13 0.73 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 62.9 t80 -168.34 107.94 0.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -88.84 123.66 33.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.603 ' CE2' HD12 ' A' ' 33' ' ' LEU . 17.5 t80 -99.18 137.98 36.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.13 114.5 62.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.511 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.04 -32.84 4.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.49 -7.12 57.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -129.74 23.49 5.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 43.96 -140.55 3.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.452 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 3.4 t70 177.1 127.42 0.18 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.593 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -74.96 -168.57 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.593 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 3.7 t70 89.52 -35.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -123.24 -39.65 2.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.89 72.23 0.53 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.403 ' HB ' ' O ' ' A' ' 19' ' ' ASP . 55.8 t -116.21 126.65 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -83.8 164.28 45.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.3 Cg_endo -74.96 145.49 31.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.01 5.41 62.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 29.2 m -96.14 144.08 26.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.733 . . . . 0.0 110.416 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -96.99 144.42 26.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.578 ' CD2' HD13 ' A' ' 33' ' ' LEU . 14.7 t80 -58.83 -20.5 51.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.73 -8.12 54.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.66 -13.98 15.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.603 HD12 ' CE2' ' A' ' 13' ' ' TYR . 20.1 mt -54.91 150.68 18.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.0 135.0 18.5 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.96 -47.46 8.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -51.91 -37.0 50.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.494 ' N ' ' O ' ' A' ' 34' ' ' PRO . 34.0 t90 -49.01 141.21 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 107.985 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.46 ' O ' ' C ' ' A' ' 39' ' ' CYS . 11.6 m -158.44 148.03 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 38' ' ' VAL . 5.9 t -37.67 103.58 0.27 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 108.293 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.571 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.01 45.83 1.42 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.522 HG23 ' CD1' ' A' ' 11' ' ' TYR . 4.9 t -136.64 -53.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.2 p -111.15 -36.82 5.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 108.297 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.57 17.42 6.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.401 ' HB3' ' SG ' ' A' ' 6' ' ' CYS . . . -63.44 139.83 97.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.737 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.456 ' HG2' ' HG3' ' A' ' 48' ' ' GLU . 18.3 Cg_endo -74.98 143.67 29.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -56.45 -17.3 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.54 -16.47 58.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.949 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.456 ' HG3' ' HG2' ' A' ' 45' ' ' PRO . 47.6 mt-10 -101.95 22.36 13.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.582 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 4.2 m-85 -104.69 134.63 47.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -127.52 147.7 50.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -81.78 118.14 22.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.498 0.189 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -55.63 -169.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt 59.58 108.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.535 ' O ' ' CG2' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -108.31 -171.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.931 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.535 ' CG2' ' O ' ' A' ' 4' ' ' TYR . 63.2 t -159.26 139.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.429 ' N ' HG11 ' A' ' 5' ' ' VAL . 8.4 t -68.47 151.02 47.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 108.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' VAL . 23.9 p -83.26 -65.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.429 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.492 ' CG2' ' OE1' ' A' ' 48' ' ' GLU . 11.5 t -38.97 -52.25 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -125.76 164.7 20.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 108.318 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.88 -97.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.458 ' CG ' ' N ' ' A' ' 12' ' ' GLU . 35.6 t80 51.48 174.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 9.9 pt-20 -164.76 133.46 3.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.444 ' HD2' ' CD1' ' A' ' 4' ' ' TYR . 17.3 t80 -93.48 145.48 24.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.7 106.17 55.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.466 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -75.05 -32.41 5.35 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.38 -4.94 42.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -117.46 -55.96 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.67 -140.42 13.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.444 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -173.31 108.87 0.32 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.75 . . . . 0.0 109.259 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -75.02 -34.82 3.51 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' PRO . 3.1 t70 -36.17 -43.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -111.55 -40.96 4.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.09 87.75 0.97 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.485 HG21 ' CD2' ' A' ' 33' ' ' LEU . 68.8 t -136.39 145.55 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.422 ' N ' HG13 ' A' ' 24' ' ' VAL . 1.6 mttm -89.44 162.64 36.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 147.53 33.81 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.555 1.818 . . . . 0.0 110.952 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.4 -18.38 52.37 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 95.8 m -62.66 161.3 12.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 110.431 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.8 p -114.38 143.16 45.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.547 ' CG ' HD12 ' A' ' 33' ' ' LEU . 17.2 t80 -56.32 -20.08 17.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.12 -20.68 55.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.21 16.05 24.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.547 HD12 ' CG ' ' A' ' 30' ' ' PHE . 19.1 mt -77.19 162.82 68.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.01 171.61 17.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.47 10.63 24.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.46 5.52 10.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.43 ' O ' HG12 ' A' ' 38' ' ' VAL . 48.7 t90 -84.26 144.12 29.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 107.97 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 45' ' ' PRO . 9.9 m -156.73 143.22 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.434 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 8.2 t -40.01 102.67 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.41 ' O ' HG23 ' A' ' 41' ' ' VAL . 18.2 Cg_endo -74.96 48.49 2.0 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.461 1.769 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.434 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 43.7 t -138.39 -49.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.4 p -114.55 -33.43 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 108.285 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.544 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 120.92 -29.98 5.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.039 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -28.38 144.33 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.479 ' HA ' ' CG1' ' A' ' 38' ' ' VAL . 18.1 Cg_endo -75.0 159.22 41.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -22.01 57.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -8.38 50.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.492 ' OE1' ' CG2' ' A' ' 8' ' ' VAL . 19.1 mt-10 -107.25 35.13 3.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.491 ' CD2' ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -123.77 138.69 54.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -138.03 145.69 42.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -75.71 109.04 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.8 mttt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.588 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -93.28 -167.13 1.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 4' ' ' TYR . 39.8 t -156.01 155.3 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.6 t -84.97 145.82 27.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.0 p -104.82 43.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.1 t -148.18 -45.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 12.3 p -122.35 -50.87 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 108.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.46 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 108.27 85.03 1.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.453 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 10.7 t80 -128.05 86.06 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 4' ' ' TYR . 18.1 pt-20 -49.88 115.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.469 ' CE1' HD11 ' A' ' 33' ' ' LEU . 47.9 t80 -88.02 151.66 22.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.453 ' HB3' ' CB ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -117.68 107.44 44.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.404 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.02 -31.04 6.5 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.47 1.774 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 -7.0 53.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.453 ' CB ' ' HB3' ' A' ' 14' ' ' ASP . 1.4 tp10 -109.47 -56.21 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.42 -134.86 10.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.455 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 1.1 t70 -174.15 108.7 0.3 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.4 Cg_endo -75.0 -36.11 2.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 20' ' ' PRO . 2.5 t70 -37.99 -48.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -100.98 -44.76 5.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.33 83.69 0.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.598 HG21 ' CD2' ' A' ' 33' ' ' LEU . 98.9 t -133.92 148.92 30.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 0.763 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -92.97 163.59 24.93 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.4 Cg_endo -75.0 145.06 31.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.38 12.27 61.56 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 56.8 m -91.72 164.23 13.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -112.94 138.82 49.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.588 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 37.4 t80 -45.17 -52.95 8.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.44 -31.08 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.16 -32.86 72.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.598 ' CD2' HG21 ' A' ' 24' ' ' VAL . 63.2 mt -47.51 157.33 0.57 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.05 166.44 29.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.22 -31.2 62.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.61 2.37 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.45 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 16.3 t90 -85.33 138.0 32.59 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.886 HG12 ' HA ' ' A' ' 45' ' ' PRO . 15.7 m -151.07 151.07 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.6 t -43.26 103.23 0.31 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 108.281 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.0 54.4 3.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.6 t -145.79 -45.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 14.0 p -116.83 -49.31 2.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.316 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.574 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 138.35 -36.62 1.89 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.574 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -25.86 142.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.886 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.2 Cg_endo -74.98 156.9 43.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -57.99 -19.14 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.8 -12.66 61.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -105.42 35.18 2.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.466 ' CE1' ' C ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER -124.34 139.36 53.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 111.041 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -141.15 159.67 41.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.403 ' HB2' ' HD2' ' A' ' 4' ' ' TYR . . . -91.62 105.43 17.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -115.21 -173.57 2.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.651 HG12 ' H ' ' A' ' 7' ' ' THR . 29.8 t -141.71 147.28 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.484 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -44.47 -45.83 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 108.292 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.651 ' H ' HG12 ' A' ' 5' ' ' VAL . 19.8 m 71.3 36.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.48 HG23 ' SG ' ' A' ' 6' ' ' CYS . 1.9 t -152.56 -45.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 8.5 p -122.8 -49.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 108.268 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.467 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 133.58 93.57 0.51 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.544 1.152 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.562 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 42.7 t80 -155.3 106.65 2.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -88.87 121.47 31.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.434 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 27.2 t80 -95.96 141.16 29.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -110.69 110.33 57.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.495 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.04 -29.17 8.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.86 -5.27 37.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 0.8 OUTLIER -119.53 -57.26 2.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 118.56 -144.92 18.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.565 1.166 . . . . 0.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 24' ' ' VAL . 5.4 t70 -169.41 125.11 0.74 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.57 0.806 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.0 2.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.59 -50.35 5.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' GLY . 5.9 m-80 -110.94 31.76 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 34.54 85.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.052 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' ASP . 2.7 t -122.97 158.38 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 1.6 mtpt -102.62 162.29 20.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 150.43 38.23 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 84.01 -9.67 62.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 97.5 m -71.37 136.69 47.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 110.437 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 p -86.32 147.62 25.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.586 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 40.8 t80 -51.95 -49.17 63.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.38 -29.27 33.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.33 -28.85 65.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.496 ' CD2' HG21 ' A' ' 24' ' ' VAL . 48.4 mt -52.0 157.89 1.96 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -74.98 164.07 34.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.31 -30.31 64.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -77.18 2.54 15.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.444 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 12.3 t90 -86.67 129.97 34.66 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.578 HG12 ' HA ' ' A' ' 45' ' ' PRO . 27.0 m -150.28 151.68 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 38' ' ' VAL . 5.7 t -38.54 104.87 0.32 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 108.315 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.562 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.98 44.67 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.407 ' H ' ' C ' ' A' ' 39' ' ' CYS . 5.8 t -136.48 -57.87 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.2 p -106.94 -40.69 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.02 18.64 4.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.484 ' CB ' ' SG ' ' A' ' 6' ' ' CYS . . . -62.83 140.23 97.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.797 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.578 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.4 Cg_endo -74.98 141.83 27.17 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.531 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -55.41 -16.85 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -21.19 50.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 6' ' ' CYS . 59.8 mt-10 -97.3 26.83 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CG ' ' CZ ' ' A' ' 30' ' ' PHE . 5.3 m-85 -105.8 134.7 48.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 51' ' ' ALA . 5.7 tt0 -129.14 147.31 50.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 50' ' ' GLU . . . -74.61 126.94 31.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.073 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.596 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -106.19 -170.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.429 ' O ' ' OG1' ' A' ' 7' ' ' THR . 84.0 t -145.64 147.86 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 0.7 OUTLIER -46.04 -54.52 8.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 108.341 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 6' ' ' CYS . 3.7 m 80.1 29.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.403 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 2.5 t -146.35 -44.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 9.8 p -122.73 -49.86 1.98 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 108.275 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.458 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 132.98 100.31 0.74 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.49 1.118 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.536 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 61.8 t80 -162.65 111.04 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.03 122.23 33.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.513 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 26.2 t80 -96.0 139.74 31.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.41 113.21 60.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' GLY . 18.1 Cg_endo -75.04 -32.03 5.66 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.23 -13.44 62.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -110.3 -55.27 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.517 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 117.65 -132.0 9.67 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 24' ' ' VAL . 1.0 OUTLIER -179.95 121.91 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.75 . . . . 0.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -37.04 2.24 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.473 1.775 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -41.17 -49.33 3.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 23' ' ' GLY . 5.4 m-80 -115.71 35.11 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 22' ' ' ASN . . . 35.24 93.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.517 HG12 ' CA ' ' A' ' 18' ' ' GLY . 14.9 t -132.08 146.95 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.96 161.1 32.37 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 145.75 32.01 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 92.49 -19.04 53.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.46 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 51.7 m -59.58 150.23 27.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.7 150.55 25.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.68 ' CD1' HD12 ' A' ' 33' ' ' LEU . 10.9 t80 -61.29 -34.12 74.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.27 -14.82 53.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.65 -27.33 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.68 HD12 ' CD1' ' A' ' 30' ' ' PHE . 31.6 mt -46.55 153.36 0.77 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.435 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -74.99 137.68 22.06 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.59 -39.48 35.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -28.34 67.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.582 ' O ' HG13 ' A' ' 38' ' ' VAL . 27.4 t90 -55.38 139.83 41.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.034 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 45' ' ' PRO . 29.3 m -158.27 149.56 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.479 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 5.1 t -38.75 104.37 0.31 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 108.3 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.536 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.05 42.52 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.445 HG21 ' CD1' ' A' ' 11' ' ' TYR . 3.5 t -133.42 -53.61 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.6 p -112.41 -38.26 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 108.296 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.95 15.88 5.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.505 ' CB ' ' SG ' ' A' ' 6' ' ' CYS . . . -59.91 139.0 90.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.623 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.03 142.69 28.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -56.19 -16.63 5.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.56 -21.99 47.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 6' ' ' CYS . 93.0 mt-10 -97.0 23.22 7.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 3.1 m-85 -104.94 134.3 48.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -124.52 146.66 48.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.88 118.35 22.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.611 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -103.53 -172.37 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.569 HG22 ' HA2' ' A' ' 10' ' ' GLY . 2.6 p -148.69 156.49 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.492 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 1.6 t -83.93 140.86 31.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 108.27 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.6 p -94.37 40.63 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.405 HG23 ' SG ' ' A' ' 6' ' ' CYS . 2.2 t -145.44 -43.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 13.8 p -128.24 -50.42 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 108.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.569 ' HA2' HG22 ' A' ' 5' ' ' VAL . . . 136.36 -93.6 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.416 1.073 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.749 ' CG ' HG21 ' A' ' 41' ' ' VAL . 55.9 t80 35.22 92.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.755 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -69.5 128.5 36.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.658 ' CE1' HD11 ' A' ' 33' ' ' LEU . 40.5 t80 -86.46 145.89 26.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.98 108.88 55.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.464 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.1 Cg_endo -75.02 -31.61 6.04 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.448 1.762 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.84 -7.14 51.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 22.3 tp10 -110.0 -57.64 2.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.47 -133.38 8.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.453 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -176.08 108.98 0.25 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -74.99 -37.31 2.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' PRO . 2.8 t70 -38.84 -46.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -104.45 -30.27 10.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.11 89.09 2.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.535 HG21 ' CD2' ' A' ' 33' ' ' LEU . 42.4 t -135.9 159.1 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.37 160.94 25.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.41 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.04 145.47 31.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.63 9.24 64.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 72.0 m -91.3 155.53 18.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.788 . . . . 0.0 110.368 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.64 146.63 28.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.611 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 28.0 t80 -46.91 -53.45 12.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 110.958 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -45.71 -33.4 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.417 ' HB3' HG22 ' A' ' 28' ' ' THR . 10.8 t70 -65.59 -42.49 91.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.681 HD13 ' CE2' ' A' ' 37' ' ' TRP . 98.8 mt -39.76 150.27 0.25 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.0 177.77 8.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 37' ' ' TRP . . . -75.14 -59.56 2.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -46.01 -24.86 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.681 ' CE2' HD13 ' A' ' 33' ' ' LEU . 18.8 t90 -58.37 140.55 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 108.028 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.725 HG12 ' HA ' ' A' ' 45' ' ' PRO . 9.8 m -159.17 156.19 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.2 t -40.95 104.19 0.33 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 108.323 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.52 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -75.05 49.45 2.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.749 HG21 ' CG ' ' A' ' 11' ' ' TYR . 96.2 t -144.22 -59.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.603 ' SG ' ' HB2' ' A' ' 44' ' ' ALA . 1.9 p -107.36 -21.77 12.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.343 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.2 -0.15 47.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.603 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -47.41 142.5 6.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.725 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.4 Cg_endo -74.94 148.47 35.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 5.2 ptmm? -52.73 -20.42 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.7 p -75.39 -12.12 60.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -101.91 31.84 3.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 5' ' ' VAL . 0.7 OUTLIER -126.35 135.72 51.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -148.26 142.78 26.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.21 120.65 11.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -117.2 -171.62 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 7' ' ' THR . 95.7 t -150.26 144.32 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 49' ' ' PHE . 1.7 t -41.34 -44.88 2.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.307 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.521 ' H ' HG12 ' A' ' 5' ' ' VAL . 33.5 m 70.71 27.2 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 6' ' ' CYS . 2.3 t -143.3 -45.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 5.1 p -123.4 -50.08 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 108.293 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.473 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 133.96 106.24 0.92 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.808 ' CD1' HG21 ' A' ' 41' ' ' VAL . 33.0 t80 -169.63 104.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.783 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.41 117.84 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CD2' ' HD2' ' A' ' 30' ' ' PHE . 22.2 t80 -94.65 133.11 38.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.38 113.01 62.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.507 ' HG3' ' CE1' ' A' ' 4' ' ' TYR . 18.4 Cg_endo -74.97 -32.53 5.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.512 1.796 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.98 -11.23 60.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' O ' ' CA ' ' A' ' 26' ' ' PRO . 48.7 tp10 -106.33 -57.45 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.249 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.456 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 119.28 -136.23 11.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 24' ' ' VAL . 4.4 t0 179.58 121.0 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.56 2.51 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -41.69 -51.25 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' GLY . 5.1 m-80 -110.19 33.8 4.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' ASN . . . 37.46 92.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 19' ' ' ASP . 14.3 t -134.74 157.84 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 0.792 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 11.1 pttt -109.19 159.9 29.54 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.411 ' CA ' ' O ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 147.54 34.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.448 1.762 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.97 6.45 67.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 29' ' ' SER . 77.5 m -87.79 173.27 9.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 110.336 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.512 ' N ' HG22 ' A' ' 28' ' ' THR . 0.7 OUTLIER -129.09 152.02 49.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.668 ' CD2' HD12 ' A' ' 33' ' ' LEU . 10.9 t80 -67.33 -23.26 65.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -74.8 -12.16 60.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.56 -4.82 17.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.668 HD12 ' CD2' ' A' ' 30' ' ' PHE . 16.4 mt -59.95 163.27 7.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HG2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.0 166.82 28.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.15 14.72 8.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.23 7.04 7.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.414 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . 28.9 t90 -84.98 135.93 33.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.467 ' O ' ' C ' ' A' ' 39' ' ' CYS . 28.2 m -150.86 145.19 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.48 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 4.5 t -37.34 104.94 0.29 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.289 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.512 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.01 46.52 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.808 HG21 ' CD1' ' A' ' 11' ' ' TYR . 9.6 t -138.62 -52.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.2 p -112.25 -41.08 3.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 108.282 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.05 17.53 3.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.517 ' CB ' ' SG ' ' A' ' 6' ' ' CYS . . . -61.81 140.09 95.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.459 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.4 Cg_endo -74.98 142.54 28.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.517 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -54.21 -18.41 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.99 -22.49 53.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.49 ' O ' ' O ' ' A' ' 6' ' ' CYS . 50.9 mt-10 -95.67 25.48 4.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.572 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 3.3 m-85 -110.47 135.17 51.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -130.37 149.39 52.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.409 ' HB2' ' HD2' ' A' ' 4' ' ' TYR . . . -86.09 110.84 19.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.578 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -113.39 -171.03 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 4' ' ' TYR . 49.2 t -157.45 159.38 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.465 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 2.1 t -87.0 138.31 31.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.6 p -77.44 -34.63 54.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.449 ' CG2' ' OE1' ' A' ' 48' ' ' GLU . 21.8 t -65.0 -83.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 9.2 p -88.48 -53.43 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 108.319 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.512 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 101.34 98.89 2.36 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.602 ' CG ' HG21 ' A' ' 41' ' ' VAL . 17.0 t80 -132.81 83.47 2.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 0.753 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' TYR . 45.5 tt0 -35.61 118.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.472 ' CE1' HD11 ' A' ' 33' ' ' LEU . 36.2 t80 -89.91 145.45 25.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.466 ' HB2' ' CB ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -108.25 105.86 57.44 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.431 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -75.0 -33.16 4.79 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.543 1.812 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.47 -12.82 60.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' CB ' ' HB2' ' A' ' 14' ' ' ASP . 1.1 tp10 -103.54 -56.66 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.23 -133.4 9.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.443 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -176.9 108.85 0.23 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.2 Cg_endo -75.04 -36.58 2.44 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 20' ' ' PRO . 2.4 t70 -37.78 -44.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -107.16 -37.17 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.26 87.17 1.5 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 33' ' ' LEU . 53.7 t -137.01 142.91 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -86.8 161.99 45.82 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.3 Cg_endo -74.98 142.86 28.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.73 -9.5 58.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.431 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 92.2 m -74.9 159.39 31.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.2 p -113.66 140.96 47.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.742 ' CD2' HD12 ' A' ' 33' ' ' LEU . 29.9 t80 -56.97 -15.88 5.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -79.81 -2.61 44.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.83 -13.85 12.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.742 HD12 ' CD2' ' A' ' 30' ' ' PHE . 20.4 mt -54.12 151.55 12.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -74.99 137.76 22.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.551 1.816 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.89 -44.12 19.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.411 ' O ' HG13 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -55.17 -33.31 62.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.582 ' CH2' ' HD3' ' A' ' 40' ' ' PRO . 18.2 t90 -54.47 139.63 36.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' ' 45' ' ' PRO . 20.7 m -148.59 150.69 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.6 t -39.95 104.76 0.34 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 108.325 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.582 ' HD3' ' CH2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -75.02 53.81 3.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.602 HG21 ' CG ' ' A' ' 11' ' ' TYR . 46.4 t -147.24 -52.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 44' ' ' ALA . 10.3 p -110.75 -37.18 5.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.63 20.62 6.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 39' ' ' CYS . . . -73.44 140.82 79.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.439 0.729 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.861 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.03 136.35 20.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -47.67 -24.19 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -59.15 -21.67 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.996 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' OE1' ' CG2' ' A' ' 8' ' ' VAL . 49.5 mt-10 -89.62 -50.03 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.457 ' CD2' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -35.31 136.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.983 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -134.27 157.43 46.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.448 ' HB2' ' HD2' ' A' ' 4' ' ' TYR . . . -92.65 110.29 21.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -120.05 -176.17 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.3 t -152.96 154.12 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.481 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 9.6 t -70.93 162.14 29.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 108.302 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.426 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 1.1 p -86.9 -76.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.483 ' CG2' ' SG ' ' A' ' 42' ' ' CYS . 23.2 m -38.89 -47.92 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.401 ' N ' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -122.62 178.7 4.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.315 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 11' ' ' TYR . . . -85.15 -109.0 0.67 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.791 ' CD1' HG21 ' A' ' 41' ' ' VAL . 52.1 t80 55.56 114.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -98.92 136.86 38.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.71 ' CE1' HD11 ' A' ' 33' ' ' LEU . 67.5 t80 -90.25 134.34 34.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.444 ' HB3' ' CB ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -106.58 108.03 61.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.464 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.97 -33.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.87 -9.85 59.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 14' ' ' ASP . 4.6 tp10 -109.13 -56.84 2.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.38 -131.6 9.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 24' ' ' VAL . 1.3 t70 -179.52 122.72 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -37.65 1.95 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -44.04 -53.47 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' GLY . 8.7 m-80 -105.81 31.25 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 35.28 91.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 19' ' ' ASP . 82.8 t -133.3 147.24 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -92.56 160.22 35.03 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.64 34.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.91 4.47 69.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.551 1.157 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 84.6 m -82.22 158.85 23.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 0.721 . . . . 0.0 110.379 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 p -110.82 136.96 49.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CD2' HD12 ' A' ' 33' ' ' LEU . 13.9 t80 -56.18 -26.11 49.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -74.01 -3.67 30.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.41 7.61 16.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.71 HD11 ' CE1' ' A' ' 13' ' ' TYR . 17.0 mt -71.38 154.19 93.66 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.404 ' HG2' ' HB2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -75.06 156.26 42.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.09 -24.15 65.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.41 5.67 22.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.722 ' O ' HG13 ' A' ' 38' ' ' VAL . 26.0 t90 -91.48 146.1 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 108.015 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.907 HG12 ' HA ' ' A' ' 45' ' ' PRO . 4.8 m -160.39 152.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.529 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 6.2 t -40.26 102.73 0.27 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.587 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.02 50.58 2.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.543 1.812 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.791 HG21 ' CD1' ' A' ' 11' ' ' TYR . 80.3 t -144.31 -53.88 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 44' ' ' ALA . 1.8 p -113.57 -16.49 12.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.333 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.38 -7.6 58.3 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.451 1.094 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.633 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -42.15 142.02 1.28 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.907 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.4 Cg_endo -75.02 153.79 41.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.34 -23.38 15.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.03 -5.23 47.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HG3' ' HG2' ' A' ' 45' ' ' PRO . 4.1 mt-10 -104.57 29.22 6.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -120.12 133.97 55.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 51' ' ' ALA . 7.6 tt0 -139.0 147.66 42.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 50' ' ' GLU . . . -80.22 113.33 18.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.525 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -117.55 -173.86 2.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -153.4 147.16 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.654 ' O ' HG22 ' A' ' 7' ' ' THR . 6.1 t -43.88 -54.27 5.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 0.0 108.27 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER 80.4 14.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.488 HG23 ' SG ' ' A' ' 6' ' ' CYS . 1.9 t -130.22 -43.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 7.3 p -122.77 -49.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.466 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 127.28 99.01 1.03 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.569 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 73.4 t80 -162.79 88.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 111.009 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -66.33 130.96 44.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.708 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 37.8 t80 -93.17 145.45 24.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -112.29 104.79 56.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.445 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -75.0 -33.26 4.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.22 -10.3 59.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 2.1 tp10 -111.56 -56.37 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.1 -138.18 12.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.422 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -172.7 109.71 0.35 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.4 Cg_endo -75.0 -36.57 2.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 20' ' ' PRO . 3.4 t70 -37.06 -46.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -104.09 -46.34 4.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.66 80.97 0.41 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.576 HG21 ' CD2' ' A' ' 33' ' ' LEU . 39.5 t -131.66 144.81 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.94 165.2 22.7 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.405 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.91 144.88 31.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.31 -13.71 66.77 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.445 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 22.9 m -62.7 160.63 13.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 0.809 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 p -114.37 145.89 41.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 46' ' ' LYS . 19.1 t80 -60.52 -18.8 54.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -78.6 -21.71 48.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.21 5.15 46.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.708 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 15.9 mt -74.41 153.71 87.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.01 160.0 40.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.3 -29.02 61.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -84.4 11.72 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.475 ' CZ3' ' CE2' ' A' ' 30' ' ' PHE . 88.8 t90 -77.86 -55.46 5.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.755 HG12 ' HA ' ' A' ' 45' ' ' PRO . 35.6 m 42.69 -165.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.3 t -97.4 110.75 56.03 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 108.334 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.569 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 48.66 2.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.491 HG21 ' CD1' ' A' ' 11' ' ' TYR . 3.1 t -143.77 -57.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 14.5 p -106.45 -49.93 3.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 108.317 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.594 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 141.62 -38.32 1.52 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.594 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -24.57 136.27 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.755 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.4 Cg_endo -74.96 158.12 42.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -59.15 -18.76 38.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.16 -14.93 60.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.538 ' O ' HG22 ' A' ' 7' ' ' THR . 6.3 mt-10 -100.76 31.09 3.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.563 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 5.4 m-85 -113.66 146.22 40.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 111.047 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -153.44 144.49 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.92 122.24 11.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.434 ' HZ2' ' HB3' ' A' ' 3' ' ' LYS . 1.8 mmmp? . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.1 -169.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.2 t -161.23 156.68 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.5 t -83.15 147.89 27.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.303 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 48' ' ' GLU . 38.2 p -78.99 -56.99 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.499 HG21 ' HB2' ' A' ' 44' ' ' ALA . 45.6 t -48.52 -73.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -97.73 -167.12 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.25 91.87 0.53 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.624 ' CG ' HG21 ' A' ' 41' ' ' VAL . 10.1 t80 -139.74 115.92 10.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -92.1 131.18 37.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 24.1 t80 -93.28 143.09 26.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.44 105.83 55.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.459 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.98 -28.45 9.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.59 -6.03 46.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 6.3 tp10 -119.05 -50.11 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.458 ' HA2' HG12 ' A' ' 24' ' ' VAL . . . 115.13 -141.21 16.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.42 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 19.7 t70 -168.09 108.83 0.56 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.5 Cg_endo -74.94 -36.31 2.68 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' PRO . 4.2 t70 -36.8 -43.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -107.83 -48.47 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.3 81.2 0.27 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.689 HG21 ' CD2' ' A' ' 33' ' ' LEU . 19.5 t -131.57 138.79 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 mtmm -83.1 163.16 52.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.424 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.97 146.6 32.97 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.41 -11.34 70.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 95.7 m -67.46 157.13 34.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 110.385 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 p -106.42 159.15 16.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.651 ' CE2' ' CZ3' ' A' ' 37' ' ' TRP . 14.5 t80 -69.79 -16.72 63.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.73 -22.5 50.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.97 13.22 31.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.689 ' CD2' HG21 ' A' ' 24' ' ' VAL . 28.1 mt -83.32 152.78 65.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -74.94 169.59 22.28 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.67 -31.27 36.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.6 p30 -85.7 16.2 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.651 ' CZ3' ' CE2' ' A' ' 30' ' ' PHE . 81.4 t90 -77.88 -53.03 7.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 107.996 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.734 HG12 ' HA ' ' A' ' 45' ' ' PRO . 30.9 m 43.37 -162.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' ALA . 8.7 t -101.7 107.82 53.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.01 46.21 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.624 HG21 ' CG ' ' A' ' 11' ' ' TYR . 12.8 t -140.05 -47.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.3 p -119.67 -45.78 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 139.57 -37.01 1.78 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.563 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -27.0 139.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.734 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.95 163.54 35.21 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -61.83 -18.72 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.6 -8.8 57.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 7' ' ' THR . 28.7 mt-10 -107.96 35.39 3.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 1.8 m-85 -116.81 137.21 52.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -131.58 152.86 50.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.52 114.12 20.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.419 ' N ' ' HE3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -109.64 -169.85 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 11' ' ' TYR . 53.0 t -152.61 135.95 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.0 t -65.6 138.81 58.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' VAL . 67.2 p -78.45 -55.74 4.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.702 HG21 ' HB2' ' A' ' 44' ' ' ALA . 72.2 t -39.69 -72.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 1.8 p -97.52 -155.48 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 108.278 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.485 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -121.72 65.8 0.48 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CD1' HG11 ' A' ' 41' ' ' VAL . 32.0 t80 -111.31 156.84 20.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 0.79 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -136.37 134.08 37.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.864 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 43.8 t80 -108.64 150.48 27.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.48 114.23 33.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -32.38 5.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.83 -4.98 41.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 3.8 tp10 -114.2 -56.56 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.03 -134.49 10.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.437 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -176.23 108.55 0.25 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.536 1.808 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' PRO . 1.2 t70 -37.54 -47.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -105.48 -36.68 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.76 87.96 1.44 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.437 ' HB ' ' N ' ' A' ' 19' ' ' ASP . 38.5 t -134.08 156.44 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -98.72 160.3 28.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.419 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.03 146.03 32.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.45 -11.17 72.02 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.9 m -65.86 159.17 26.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.439 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 p -111.55 146.73 36.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CD2' HD12 ' A' ' 33' ' ' LEU . 21.7 t80 -60.07 -32.05 70.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -62.55 -14.13 38.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.66 -28.75 13.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.864 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 22.2 mt -46.7 149.17 1.53 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -74.99 170.79 19.64 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.28 -42.47 25.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.78 -4.59 12.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CE3' ' O ' ' A' ' 38' ' ' VAL . 90.4 t90 -61.99 -52.92 62.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.869 HG12 ' HA ' ' A' ' 45' ' ' PRO . 27.0 m 41.83 -160.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.702 ' SG ' HG13 ' A' ' 41' ' ' VAL . 12.4 t -103.83 106.36 52.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 108.275 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.612 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.3 Cg_endo -74.97 60.7 5.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.702 HG13 ' SG ' ' A' ' 39' ' ' CYS . 1.9 m -160.87 -41.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 11.6 p -120.44 -46.46 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 108.305 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.64 -41.39 1.46 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.702 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -25.64 138.35 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.869 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.03 164.55 33.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 9.9 pttm -62.34 -20.1 64.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.6 t -72.91 -9.06 58.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.997 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 31.2 mt-10 -107.2 35.19 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -119.19 133.45 55.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -129.2 142.3 50.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.7 131.53 50.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.953 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -114.58 -170.73 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 4' ' ' TYR . 69.9 t -158.37 137.2 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.13 135.69 57.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 108.297 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.573 HG21 ' HB2' ' A' ' 50' ' ' GLU . 66.1 p -100.93 41.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.4 t -140.53 -45.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 8.4 p -123.12 -50.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 108.239 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.469 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 114.22 95.03 2.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.529 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 6.3 t80 -145.65 96.62 2.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 0.754 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -62.35 120.9 11.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.85 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 27.9 t80 -92.39 147.93 22.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.89 104.32 51.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.507 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.96 -32.11 5.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.12 -4.73 40.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 15.8 tp10 -116.57 -57.03 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.556 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 116.61 -135.79 12.29 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 24' ' ' VAL . 0.6 OUTLIER 178.32 121.95 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -75.02 -34.69 3.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' PRO . 4.1 t70 -38.47 -51.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.503 ' ND2' ' CD1' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -117.69 39.05 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 22' ' ' ASN . . . 36.7 94.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.556 HG12 ' CA ' ' A' ' 18' ' ' GLY . 14.3 t -133.52 146.8 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -96.59 157.96 34.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.03 150.36 37.9 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.11 -11.57 70.47 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.448 1.093 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 76.6 m -70.39 136.78 49.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 110.355 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.7 p -90.21 148.58 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.583 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 15.0 t80 -61.33 -25.26 67.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.89 -10.17 59.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.16 -16.98 14.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.85 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 13.5 mt -54.86 157.09 5.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.1 Cg_endo -75.04 163.75 34.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.09 -30.34 58.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.1 12.72 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.649 ' CE2' HD13 ' A' ' 33' ' ' LEU . 86.6 t90 -77.9 -51.77 9.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 107.972 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.895 HG12 ' HA ' ' A' ' 45' ' ' PRO . 28.7 m 43.04 -165.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.49 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 10.8 t -98.41 108.55 48.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 108.275 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.04 47.02 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.49 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 61.3 t -140.89 -45.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 15.1 p -118.71 -48.36 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 108.305 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.545 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 140.16 -36.98 1.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.545 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -28.41 142.35 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.895 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.97 163.28 35.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -62.38 -17.91 60.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.73 -8.94 57.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.031 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.419 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 22.5 mt-10 -107.12 34.51 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.33 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 46' ' ' LYS . 11.0 m-85 -117.09 129.62 56.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.573 ' HB2' HG21 ' A' ' 7' ' ' THR . 0.2 OUTLIER -112.36 156.21 22.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.83 106.91 18.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 13' ' ' TYR . 3.3 mptt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -103.84 -167.23 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 11' ' ' TYR . 3.6 p -151.22 161.95 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.3 t -92.97 141.92 27.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 48' ' ' GLU . 64.6 p -71.7 -64.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.779 HG21 ' HB2' ' A' ' 44' ' ' ALA . 61.1 t -37.82 -70.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 2.1 p -99.06 -155.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 108.294 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.48 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -130.96 66.67 0.58 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.489 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 10.4 t80 -110.1 124.2 51.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -99.7 126.29 45.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.29 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 25.8 t80 -94.89 143.98 26.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.21 106.0 57.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.5 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.95 -29.65 8.08 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.35 -2.46 31.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -118.87 -55.72 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.501 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 120.4 -139.94 14.04 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -178.57 121.71 0.24 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.2 Cg_endo -75.04 -37.42 2.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -40.12 -45.64 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 23' ' ' GLY . 3.6 m-80 -119.25 34.33 5.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 36.39 91.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.54 HG21 ' CD2' ' A' ' 33' ' ' LEU . 14.6 t -132.64 152.16 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -100.21 163.76 17.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.41 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.94 152.71 41.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.1 -7.1 72.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 52.3 m -72.98 150.79 42.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 p -104.75 142.91 33.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.563 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 47.9 t80 -49.56 -45.57 47.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.053 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.86 -25.32 27.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -77.11 -34.69 56.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.543 HD12 ' CD1' ' A' ' 30' ' ' PHE . 96.3 mt -45.11 157.18 0.35 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.0 165.53 31.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.38 -30.62 63.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.59 1.68 16.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.453 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 11.5 t90 -85.5 136.75 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 107.993 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.873 HG12 ' HA ' ' A' ' 45' ' ' PRO . 28.2 m -152.3 145.73 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.532 ' SG ' HG13 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -37.22 98.42 0.16 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.333 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.526 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.0 64.4 6.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.532 HG13 ' SG ' ' A' ' 39' ' ' CYS . 1.7 m -158.01 -42.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER -126.18 -46.97 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.312 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.541 ' O ' ' O ' ' A' ' 44' ' ' ALA . . . 140.9 -127.59 3.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.779 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . 56.88 141.95 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.873 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.0 152.2 40.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -53.99 -17.78 2.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.84 -10.87 60.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.768 ' O ' HG23 ' A' ' 7' ' ' THR . 54.2 mt-10 -104.94 34.83 3.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.499 ' CG ' ' CZ ' ' A' ' 30' ' ' PHE . 1.8 m-85 -115.9 135.88 53.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -130.85 159.31 37.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.85 121.34 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -110.08 -174.62 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.416 ' O ' ' CD1' ' A' ' 49' ' ' PHE . 3.2 p -146.04 164.02 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.3 t -88.85 142.7 27.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 108.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.6 p -101.0 39.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.357 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 t -143.14 -46.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 13.9 p -120.63 -50.77 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.454 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 108.46 80.12 1.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.544 ' CG ' HG21 ' A' ' 41' ' ' VAL . 20.1 t80 -125.35 93.31 3.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.85 121.2 9.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -95.41 144.66 25.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.75 108.32 56.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -32.4 5.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.36 -7.67 50.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 4.7 tp10 -111.51 -55.62 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.513 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 117.34 -134.86 11.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -178.33 120.34 0.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.303 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.88 2.31 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.77 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.96 -50.32 5.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 23' ' ' GLY . 6.2 m-80 -111.51 37.07 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 34.65 91.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.513 HG12 ' CA ' ' A' ' 18' ' ' GLY . 16.6 t -135.13 151.26 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -101.38 164.14 16.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.0 151.49 39.59 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.59 -12.16 66.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.103 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 29' ' ' SER . 79.4 m -65.1 168.27 6.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 110.43 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 28' ' ' THR . 0.3 OUTLIER -127.39 143.61 51.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.609 ' CG ' HD12 ' A' ' 33' ' ' LEU . 12.0 t80 -57.5 -32.64 67.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -69.99 -9.29 54.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.54 9.0 25.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.609 HD12 ' CG ' ' A' ' 30' ' ' PHE . 20.1 mt -73.76 164.19 62.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.419 ' HG2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.05 167.21 27.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.13 21.19 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.51 9.95 3.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.577 ' CZ2' ' HD3' ' A' ' 40' ' ' PRO . 11.7 t90 -88.73 141.61 28.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.97 HG12 ' HA ' ' A' ' 45' ' ' PRO . 15.6 m -149.28 151.65 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.413 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 9.3 t -44.02 103.4 0.32 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 108.251 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.577 ' HD3' ' CZ2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.01 53.94 3.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.797 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG21 ' CG ' ' A' ' 11' ' ' TYR . 87.0 t -146.5 -51.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.5 p -112.24 -41.3 3.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.561 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.88 -30.6 3.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.561 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -27.79 141.95 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.569 0.805 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.97 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.98 157.76 42.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 2.3 ptmm? -55.67 -26.74 46.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -9.53 52.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 11.2 mt-10 -103.65 32.84 3.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER -126.87 136.44 52.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -150.85 159.06 44.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.335 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.45 120.09 25.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.533 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -102.25 -169.17 1.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.446 HG13 ' OG1' ' A' ' 7' ' ' THR . 3.9 p -148.51 143.55 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -41.18 -45.65 2.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 108.294 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 7' ' ' THR . 34.6 m 69.16 37.6 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.493 HG23 ' SG ' ' A' ' 6' ' ' CYS . 1.8 t -152.64 -44.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.47 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 5.1 p -125.95 -49.99 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 108.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.47 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 136.02 104.13 0.73 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 62.9 t80 -168.34 107.94 0.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -88.84 123.66 33.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.604 ' CE2' HD11 ' A' ' 33' ' ' LEU . 17.5 t80 -99.18 137.98 36.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.13 114.5 62.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.511 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.04 -32.84 4.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.49 -7.12 57.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -129.74 23.49 5.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.661 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 43.96 -140.55 3.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.453 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 3.4 t70 177.1 127.42 0.18 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.593 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -74.96 -168.57 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.593 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 3.7 t70 89.52 -35.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -123.24 -39.65 2.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.89 72.23 0.53 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.687 HG21 HD21 ' A' ' 33' ' ' LEU . 55.8 t -116.21 126.65 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -83.8 164.28 45.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.3 Cg_endo -74.96 145.49 31.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.01 5.41 62.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 29.2 m -96.14 144.08 26.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.733 . . . . 0.0 110.416 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -96.99 144.42 26.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CD2' HD12 ' A' ' 33' ' ' LEU . 14.7 t80 -58.83 -20.5 51.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.73 -8.12 54.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.66 -13.98 15.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.687 HD21 HG21 ' A' ' 24' ' ' VAL . 20.1 mt -54.91 150.68 18.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.0 135.0 18.5 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.96 -47.46 8.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -51.91 -37.0 50.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.626 ' O ' HG13 ' A' ' 38' ' ' VAL . 34.0 t90 -49.01 141.21 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 107.985 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.865 HG12 ' HA ' ' A' ' 45' ' ' PRO . 11.6 m -158.44 148.03 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 38' ' ' VAL . 5.9 t -37.67 103.58 0.27 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 108.293 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.571 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.01 45.83 1.42 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.492 HG21 ' CD1' ' A' ' 11' ' ' TYR . 4.9 t -136.64 -53.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.2 p -111.15 -36.82 5.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 108.297 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.57 17.42 6.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' ' 8' ' ' VAL . . . -63.44 139.83 97.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.737 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.865 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.98 143.67 29.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.417 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -56.45 -17.3 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.54 -16.47 58.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.949 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.456 ' HG3' ' HG2' ' A' ' 45' ' ' PRO . 47.6 mt-10 -101.95 22.36 13.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 4.2 m-85 -104.69 134.63 47.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -127.52 147.7 50.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.498 ' HB2' ' HD2' ' A' ' 4' ' ' TYR . . . -81.78 118.14 22.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.604 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -108.31 -171.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.931 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 11' ' ' TYR . 63.2 t -159.26 139.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 9' ' ' CYS . 8.4 t -68.47 151.02 47.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 108.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' VAL . 23.9 p -83.26 -65.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.429 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.492 ' CG2' ' OE1' ' A' ' 48' ' ' GLU . 11.5 t -38.97 -52.25 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -125.76 164.7 20.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 108.318 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.422 ' O ' HG13 ' A' ' 5' ' ' VAL . . . -59.88 -97.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.823 ' CD1' HG21 ' A' ' 41' ' ' VAL . 35.6 t80 51.48 174.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 9.9 pt-20 -164.76 133.46 3.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.434 ' HD2' ' CD1' ' A' ' 4' ' ' TYR . 17.3 t80 -93.48 145.48 24.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.7 106.17 55.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.466 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -75.05 -32.41 5.35 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.38 -4.94 42.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 3.9 tp10 -117.46 -55.96 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.67 -140.42 13.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.444 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -173.31 108.87 0.32 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.75 . . . . 0.0 109.259 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -75.02 -34.82 3.51 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' PRO . 3.1 t70 -36.17 -43.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -111.55 -40.96 4.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.09 87.75 0.97 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.444 ' HB ' ' N ' ' A' ' 19' ' ' ASP . 68.8 t -136.39 145.55 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -89.44 162.64 36.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.434 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.0 Cg_endo -75.06 147.53 33.81 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.555 1.818 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.4 -18.38 52.37 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 95.8 m -62.66 161.3 12.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 110.431 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.8 p -114.38 143.16 45.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.571 ' CG ' HD12 ' A' ' 33' ' ' LEU . 17.2 t80 -56.32 -20.08 17.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.12 -20.68 55.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.21 16.05 24.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.571 HD12 ' CG ' ' A' ' 30' ' ' PHE . 19.1 mt -77.19 162.82 68.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.01 171.61 17.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.47 10.63 24.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.46 5.52 10.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.587 ' O ' HG13 ' A' ' 38' ' ' VAL . 48.7 t90 -84.26 144.12 29.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 107.97 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.928 HG12 ' HA ' ' A' ' 45' ' ' PRO . 9.9 m -156.73 143.22 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.435 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 8.2 t -40.01 102.67 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 48.49 2.0 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.461 1.769 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.823 HG21 ' CD1' ' A' ' 11' ' ' TYR . 43.7 t -138.39 -49.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.4 p -114.55 -33.43 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 108.285 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.544 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 120.92 -29.98 5.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.039 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -28.38 144.33 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.928 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.1 Cg_endo -75.0 159.22 41.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -22.01 57.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -8.38 50.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.492 ' OE1' ' CG2' ' A' ' 8' ' ' VAL . 19.1 mt-10 -107.25 35.13 3.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.491 ' CD2' ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -123.77 138.69 54.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -138.03 145.69 42.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . -75.71 109.04 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 51' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.488 0.185 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 6.4 mttt -123.46 14.0 9.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -40.62 108.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.588 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -93.28 -167.13 1.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 4' ' ' TYR . 39.8 t -156.01 155.3 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.6 t -84.97 145.82 27.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.0 p -104.82 43.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.1 t -148.18 -45.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 12.3 p -122.35 -50.87 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 108.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.46 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 108.27 85.03 1.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.453 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 10.7 t80 -128.05 86.06 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 4' ' ' TYR . 18.1 pt-20 -49.88 115.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.469 ' CE1' HD11 ' A' ' 33' ' ' LEU . 47.9 t80 -88.02 151.66 22.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.453 ' HB3' ' CB ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -117.68 107.44 44.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.404 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.02 -31.04 6.5 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.47 1.774 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 -7.0 53.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' CB ' ' HB3' ' A' ' 14' ' ' ASP . 1.4 tp10 -109.47 -56.21 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.42 -134.86 10.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.455 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 1.1 t70 -174.15 108.7 0.3 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.4 Cg_endo -75.0 -36.11 2.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 20' ' ' PRO . 2.5 t70 -37.99 -48.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -100.98 -44.76 5.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.33 83.69 0.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.598 HG21 ' CD2' ' A' ' 33' ' ' LEU . 98.9 t -133.92 148.92 30.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 0.763 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -92.97 163.59 24.93 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.4 Cg_endo -75.0 145.06 31.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.38 12.27 61.56 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 56.8 m -91.72 164.23 13.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -112.94 138.82 49.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.588 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 37.4 t80 -45.17 -52.95 8.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.44 -31.08 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.16 -32.86 72.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.598 ' CD2' HG21 ' A' ' 24' ' ' VAL . 63.2 mt -47.51 157.33 0.57 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.05 166.44 29.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.22 -31.2 62.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.61 2.37 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.45 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 16.3 t90 -85.33 138.0 32.59 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.886 HG12 ' HA ' ' A' ' 45' ' ' PRO . 15.7 m -151.07 151.07 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.6 t -43.26 103.23 0.31 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 108.281 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.0 54.4 3.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.6 t -145.79 -45.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 14.0 p -116.83 -49.31 2.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.316 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.574 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 138.35 -36.62 1.89 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.574 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -25.86 142.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.886 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.2 Cg_endo -74.98 156.9 43.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -57.99 -19.14 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.8 -12.66 61.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -105.42 35.18 2.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.466 ' CE1' ' C ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER -124.34 139.36 53.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 111.041 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -141.15 159.67 41.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.403 ' HB2' ' HD2' ' A' ' 4' ' ' TYR . . . -91.62 105.43 17.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.545 0.212 . . . . 0.0 111.026 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 84.39 -168.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? 63.31 115.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -115.21 -173.57 2.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.651 HG12 ' H ' ' A' ' 7' ' ' THR . 29.8 t -141.71 147.28 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.484 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -44.47 -45.83 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 108.292 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.651 ' H ' HG12 ' A' ' 5' ' ' VAL . 19.8 m 71.3 36.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.48 HG23 ' SG ' ' A' ' 6' ' ' CYS . 1.9 t -152.56 -45.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 8.5 p -122.8 -49.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 108.268 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.467 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 133.58 93.57 0.51 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.544 1.152 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.562 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 42.7 t80 -155.3 106.65 2.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -88.87 121.47 31.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.434 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 27.2 t80 -95.96 141.16 29.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -110.69 110.33 57.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.495 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.04 -29.17 8.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.86 -5.27 37.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 0.8 OUTLIER -119.53 -57.26 2.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 118.56 -144.92 18.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.565 1.166 . . . . 0.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 24' ' ' VAL . 5.4 t70 -169.41 125.11 0.74 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.57 0.806 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.0 2.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.59 -50.35 5.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' GLY . 5.9 m-80 -110.94 31.76 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 34.54 85.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.052 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' ASP . 2.7 t -122.97 158.38 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 1.6 mtpt -102.62 162.29 20.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 150.43 38.23 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 84.01 -9.67 62.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 97.5 m -71.37 136.69 47.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 110.437 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 p -86.32 147.62 25.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.586 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 40.8 t80 -51.95 -49.17 63.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.38 -29.27 33.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.33 -28.85 65.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.496 ' CD2' HG21 ' A' ' 24' ' ' VAL . 48.4 mt -52.0 157.89 1.96 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -74.98 164.07 34.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.31 -30.31 64.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -77.18 2.54 15.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.444 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 12.3 t90 -86.67 129.97 34.66 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.578 HG12 ' HA ' ' A' ' 45' ' ' PRO . 27.0 m -150.28 151.68 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 38' ' ' VAL . 5.7 t -38.54 104.87 0.32 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 108.315 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.562 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.98 44.67 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.407 ' H ' ' C ' ' A' ' 39' ' ' CYS . 5.8 t -136.48 -57.87 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.2 p -106.94 -40.69 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.02 18.64 4.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.484 ' CB ' ' SG ' ' A' ' 6' ' ' CYS . . . -62.83 140.23 97.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.797 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.578 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.4 Cg_endo -74.98 141.83 27.17 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.531 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -55.41 -16.85 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -21.19 50.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 6' ' ' CYS . 59.8 mt-10 -97.3 26.83 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CG ' ' CZ ' ' A' ' 30' ' ' PHE . 5.3 m-85 -105.8 134.7 48.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 51' ' ' ALA . 5.7 tt0 -129.14 147.31 50.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 50' ' ' GLU . . . -74.61 126.94 31.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.073 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.405 ' HG3' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.479 0.181 . . . . 0.0 110.978 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.15 148.9 34.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.36 154.06 44.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.596 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -106.19 -170.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.429 ' O ' ' OG1' ' A' ' 7' ' ' THR . 84.0 t -145.64 147.86 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 0.7 OUTLIER -46.04 -54.52 8.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 108.341 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 6' ' ' CYS . 3.7 m 80.1 29.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.403 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 2.5 t -146.35 -44.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 9.8 p -122.73 -49.86 1.98 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 108.275 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.458 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 132.98 100.31 0.74 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.49 1.118 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.536 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 61.8 t80 -162.65 111.04 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.03 122.23 33.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.513 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 26.2 t80 -96.0 139.74 31.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.41 113.21 60.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' GLY . 18.1 Cg_endo -75.04 -32.03 5.66 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' HB2' ' HG3' ' A' ' 1' ' ' MET . . . -69.23 -13.44 62.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -110.3 -55.27 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.517 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 117.65 -132.0 9.67 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 24' ' ' VAL . 1.0 OUTLIER -179.95 121.91 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.75 . . . . 0.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -37.04 2.24 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.473 1.775 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -41.17 -49.33 3.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 23' ' ' GLY . 5.4 m-80 -115.71 35.11 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 22' ' ' ASN . . . 35.24 93.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.517 HG12 ' CA ' ' A' ' 18' ' ' GLY . 14.9 t -132.08 146.95 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.96 161.1 32.37 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 145.75 32.01 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 92.49 -19.04 53.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.46 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 51.7 m -59.58 150.23 27.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.7 150.55 25.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.68 ' CD1' HD12 ' A' ' 33' ' ' LEU . 10.9 t80 -61.29 -34.12 74.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.27 -14.82 53.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.65 -27.33 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.68 HD12 ' CD1' ' A' ' 30' ' ' PHE . 31.6 mt -46.55 153.36 0.77 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.435 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -74.99 137.68 22.06 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.59 -39.48 35.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -28.34 67.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.582 ' O ' HG13 ' A' ' 38' ' ' VAL . 27.4 t90 -55.38 139.83 41.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.034 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 45' ' ' PRO . 29.3 m -158.27 149.56 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.479 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 5.1 t -38.75 104.37 0.31 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 108.3 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.536 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.05 42.52 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.445 HG21 ' CD1' ' A' ' 11' ' ' TYR . 3.5 t -133.42 -53.61 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.6 p -112.41 -38.26 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 108.296 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.95 15.88 5.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.505 ' CB ' ' SG ' ' A' ' 6' ' ' CYS . . . -59.91 139.0 90.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.623 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.03 142.69 28.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -56.19 -16.63 5.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.56 -21.99 47.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 6' ' ' CYS . 93.0 mt-10 -97.0 23.22 7.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 3.1 m-85 -104.94 134.3 48.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -124.52 146.66 48.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.88 118.35 22.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.494 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.471 0.176 . . . . 0.0 110.967 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER 87.25 -149.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? 63.3 117.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.611 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -103.53 -172.37 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.569 HG22 ' HA2' ' A' ' 10' ' ' GLY . 2.6 p -148.69 156.49 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.492 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 1.6 t -83.93 140.86 31.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 108.27 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.6 p -94.37 40.63 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.405 HG23 ' SG ' ' A' ' 6' ' ' CYS . 2.2 t -145.44 -43.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 13.8 p -128.24 -50.42 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 108.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.569 ' HA2' HG22 ' A' ' 5' ' ' VAL . . . 136.36 -93.6 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.416 1.073 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.749 ' CG ' HG21 ' A' ' 41' ' ' VAL . 55.9 t80 35.22 92.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.755 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -69.5 128.5 36.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.658 ' CE1' HD11 ' A' ' 33' ' ' LEU . 40.5 t80 -86.46 145.89 26.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.98 108.88 55.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.1 Cg_endo -75.02 -31.61 6.04 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.448 1.762 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.84 -7.14 51.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 22.3 tp10 -110.0 -57.64 2.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.47 -133.38 8.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.453 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -176.08 108.98 0.25 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -74.99 -37.31 2.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' PRO . 2.8 t70 -38.84 -46.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -104.45 -30.27 10.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.11 89.09 2.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.535 HG21 ' CD2' ' A' ' 33' ' ' LEU . 42.4 t -135.9 159.1 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.37 160.94 25.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.41 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.04 145.47 31.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.63 9.24 64.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 72.0 m -91.3 155.53 18.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.788 . . . . 0.0 110.368 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.64 146.63 28.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.611 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 28.0 t80 -46.91 -53.45 12.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 110.958 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -45.71 -33.4 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.417 ' HB3' HG22 ' A' ' 28' ' ' THR . 10.8 t70 -65.59 -42.49 91.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.681 HD13 ' CE2' ' A' ' 37' ' ' TRP . 98.8 mt -39.76 150.27 0.25 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.0 177.77 8.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 37' ' ' TRP . . . -75.14 -59.56 2.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -46.01 -24.86 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.681 ' CE2' HD13 ' A' ' 33' ' ' LEU . 18.8 t90 -58.37 140.55 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 108.028 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.725 HG12 ' HA ' ' A' ' 45' ' ' PRO . 9.8 m -159.17 156.19 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.2 t -40.95 104.19 0.33 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 108.323 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.52 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -75.05 49.45 2.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.749 HG21 ' CG ' ' A' ' 11' ' ' TYR . 96.2 t -144.22 -59.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.603 ' SG ' ' HB2' ' A' ' 44' ' ' ALA . 1.9 p -107.36 -21.77 12.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.343 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.2 -0.15 47.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.603 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -47.41 142.5 6.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.725 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.4 Cg_endo -74.94 148.47 35.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 5.2 ptmm? -52.73 -20.42 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.7 p -75.39 -12.12 60.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -101.91 31.84 3.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 5' ' ' VAL . 0.7 OUTLIER -126.35 135.72 51.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -148.26 142.78 26.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.21 120.65 11.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.498 0.19 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -77.11 -169.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt 68.83 116.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -117.2 -171.62 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 7' ' ' THR . 95.7 t -150.26 144.32 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 49' ' ' PHE . 1.7 t -41.34 -44.88 2.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.307 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.521 ' H ' HG12 ' A' ' 5' ' ' VAL . 33.5 m 70.71 27.2 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 6' ' ' CYS . 2.3 t -143.3 -45.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 5.1 p -123.4 -50.08 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 108.293 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.473 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 133.96 106.24 0.92 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.808 ' CD1' HG21 ' A' ' 41' ' ' VAL . 33.0 t80 -169.63 104.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.783 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.41 117.84 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CD2' ' HD2' ' A' ' 30' ' ' PHE . 22.2 t80 -94.65 133.11 38.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.38 113.01 62.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.507 ' HG3' ' CE1' ' A' ' 4' ' ' TYR . 18.4 Cg_endo -74.97 -32.53 5.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.512 1.796 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.98 -11.23 60.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' O ' ' CA ' ' A' ' 26' ' ' PRO . 48.7 tp10 -106.33 -57.45 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.249 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.456 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 119.28 -136.23 11.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 24' ' ' VAL . 4.4 t0 179.58 121.0 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.56 2.51 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -41.69 -51.25 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' GLY . 5.1 m-80 -110.19 33.8 4.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' ASN . . . 37.46 92.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 19' ' ' ASP . 14.3 t -134.74 157.84 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 0.792 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 11.1 pttt -109.19 159.9 29.54 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' CA ' ' O ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 147.54 34.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.448 1.762 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.97 6.45 67.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 29' ' ' SER . 77.5 m -87.79 173.27 9.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 110.336 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.512 ' N ' HG22 ' A' ' 28' ' ' THR . 0.7 OUTLIER -129.09 152.02 49.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.668 ' CD2' HD12 ' A' ' 33' ' ' LEU . 10.9 t80 -67.33 -23.26 65.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -74.8 -12.16 60.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.56 -4.82 17.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.668 HD12 ' CD2' ' A' ' 30' ' ' PHE . 16.4 mt -59.95 163.27 7.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HG2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.0 166.82 28.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.15 14.72 8.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.23 7.04 7.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.414 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . 28.9 t90 -84.98 135.93 33.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.467 ' O ' ' C ' ' A' ' 39' ' ' CYS . 28.2 m -150.86 145.19 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.48 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 4.5 t -37.34 104.94 0.29 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.289 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.512 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.01 46.52 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.808 HG21 ' CD1' ' A' ' 11' ' ' TYR . 9.6 t -138.62 -52.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.2 p -112.25 -41.08 3.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 108.282 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.05 17.53 3.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.517 ' CB ' ' SG ' ' A' ' 6' ' ' CYS . . . -61.81 140.09 95.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.459 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.4 Cg_endo -74.98 142.54 28.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.517 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -54.21 -18.41 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.99 -22.49 53.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.49 ' O ' ' O ' ' A' ' 6' ' ' CYS . 50.9 mt-10 -95.67 25.48 4.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.572 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 3.3 m-85 -110.47 135.17 51.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -130.37 149.39 52.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.409 ' HB2' ' HD2' ' A' ' 4' ' ' TYR . . . -86.09 110.84 19.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mtt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.521 0.201 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.453 ' HA ' ' CE ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -158.66 -165.91 1.77 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt 69.45 121.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.578 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -113.39 -171.03 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 4' ' ' TYR . 49.2 t -157.45 159.38 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.465 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 2.1 t -87.0 138.31 31.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.6 p -77.44 -34.63 54.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.449 ' CG2' ' OE1' ' A' ' 48' ' ' GLU . 21.8 t -65.0 -83.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 9.2 p -88.48 -53.43 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 108.319 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.512 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 101.34 98.89 2.36 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.602 ' CG ' HG21 ' A' ' 41' ' ' VAL . 17.0 t80 -132.81 83.47 2.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 0.753 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' TYR . 45.5 tt0 -35.61 118.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.472 ' CE1' HD11 ' A' ' 33' ' ' LEU . 36.2 t80 -89.91 145.45 25.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' HB2' ' CB ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -108.25 105.86 57.44 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.431 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -75.0 -33.16 4.79 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.543 1.812 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.47 -12.82 60.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' CB ' ' HB2' ' A' ' 14' ' ' ASP . 1.1 tp10 -103.54 -56.66 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.23 -133.4 9.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.443 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -176.9 108.85 0.23 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.2 Cg_endo -75.04 -36.58 2.44 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 20' ' ' PRO . 2.4 t70 -37.78 -44.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -107.16 -37.17 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.26 87.17 1.5 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 33' ' ' LEU . 53.7 t -137.01 142.91 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -86.8 161.99 45.82 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.3 Cg_endo -74.98 142.86 28.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.73 -9.5 58.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.431 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 92.2 m -74.9 159.39 31.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.2 p -113.66 140.96 47.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.742 ' CD2' HD12 ' A' ' 33' ' ' LEU . 29.9 t80 -56.97 -15.88 5.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -79.81 -2.61 44.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.83 -13.85 12.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.742 HD12 ' CD2' ' A' ' 30' ' ' PHE . 20.4 mt -54.12 151.55 12.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -74.99 137.76 22.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.551 1.816 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.89 -44.12 19.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.411 ' O ' HG13 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -55.17 -33.31 62.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.582 ' CH2' ' HD3' ' A' ' 40' ' ' PRO . 18.2 t90 -54.47 139.63 36.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' ' 45' ' ' PRO . 20.7 m -148.59 150.69 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.6 t -39.95 104.76 0.34 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 108.325 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.582 ' HD3' ' CH2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -75.02 53.81 3.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.602 HG21 ' CG ' ' A' ' 11' ' ' TYR . 46.4 t -147.24 -52.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 44' ' ' ALA . 10.3 p -110.75 -37.18 5.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.63 20.62 6.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 39' ' ' CYS . . . -73.44 140.82 79.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.439 0.729 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.861 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.03 136.35 20.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -47.67 -24.19 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -59.15 -21.67 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.996 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' OE1' ' CG2' ' A' ' 8' ' ' VAL . 49.5 mt-10 -89.62 -50.03 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.457 ' CD2' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -35.31 136.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.983 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -134.27 157.43 46.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.448 ' HB2' ' HD2' ' A' ' 4' ' ' TYR . . . -92.65 110.29 21.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.521 0.2 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.58 148.81 14.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.46 155.87 26.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -120.05 -176.17 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.3 t -152.96 154.12 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.481 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 9.6 t -70.93 162.14 29.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 108.302 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.426 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 1.1 p -86.9 -76.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.483 ' CG2' ' SG ' ' A' ' 42' ' ' CYS . 23.2 m -38.89 -47.92 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.401 ' N ' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -122.62 178.7 4.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.315 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 11' ' ' TYR . . . -85.15 -109.0 0.67 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.791 ' CD1' HG21 ' A' ' 41' ' ' VAL . 52.1 t80 55.56 114.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -98.92 136.86 38.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.71 ' CE1' HD11 ' A' ' 33' ' ' LEU . 67.5 t80 -90.25 134.34 34.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.444 ' HB3' ' CB ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -106.58 108.03 61.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.97 -33.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.87 -9.85 59.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 14' ' ' ASP . 4.6 tp10 -109.13 -56.84 2.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.38 -131.6 9.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 24' ' ' VAL . 1.3 t70 -179.52 122.72 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -37.65 1.95 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -44.04 -53.47 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' GLY . 8.7 m-80 -105.81 31.25 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 35.28 91.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 19' ' ' ASP . 82.8 t -133.3 147.24 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -92.56 160.22 35.03 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.64 34.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.91 4.47 69.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.551 1.157 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 84.6 m -82.22 158.85 23.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 0.721 . . . . 0.0 110.379 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 p -110.82 136.96 49.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CD2' HD12 ' A' ' 33' ' ' LEU . 13.9 t80 -56.18 -26.11 49.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -74.01 -3.67 30.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.41 7.61 16.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.71 HD11 ' CE1' ' A' ' 13' ' ' TYR . 17.0 mt -71.38 154.19 93.66 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.404 ' HG2' ' HB2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -75.06 156.26 42.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.09 -24.15 65.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.41 5.67 22.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.722 ' O ' HG13 ' A' ' 38' ' ' VAL . 26.0 t90 -91.48 146.1 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 108.015 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.907 HG12 ' HA ' ' A' ' 45' ' ' PRO . 4.8 m -160.39 152.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.529 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 6.2 t -40.26 102.73 0.27 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.587 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.02 50.58 2.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.543 1.812 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.791 HG21 ' CD1' ' A' ' 11' ' ' TYR . 80.3 t -144.31 -53.88 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 44' ' ' ALA . 1.8 p -113.57 -16.49 12.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.333 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.38 -7.6 58.3 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.451 1.094 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.633 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -42.15 142.02 1.28 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.907 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.4 Cg_endo -75.02 153.79 41.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.34 -23.38 15.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.03 -5.23 47.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HG3' ' HG2' ' A' ' 45' ' ' PRO . 4.1 mt-10 -104.57 29.22 6.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -120.12 133.97 55.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 51' ' ' ALA . 7.6 tt0 -139.0 147.66 42.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 50' ' ' GLU . . . -80.22 113.33 18.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.657 ' HG2' ' HB2' ' A' ' 51' ' ' ALA . 1.5 ptm . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.486 0.184 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.489 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 1.8 mtmt 67.12 179.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 2' ' ' LYS . 2.9 mmtt -33.47 127.79 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.525 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -117.55 -173.86 2.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -153.4 147.16 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.654 ' O ' HG22 ' A' ' 7' ' ' THR . 6.1 t -43.88 -54.27 5.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 0.0 108.27 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER 80.4 14.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.488 HG23 ' SG ' ' A' ' 6' ' ' CYS . 1.9 t -130.22 -43.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 7.3 p -122.77 -49.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.466 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 127.28 99.01 1.03 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.569 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 73.4 t80 -162.79 88.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 111.009 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -66.33 130.96 44.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.708 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 37.8 t80 -93.17 145.45 24.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -112.29 104.79 56.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -75.0 -33.26 4.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.22 -10.3 59.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 2.1 tp10 -111.56 -56.37 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.1 -138.18 12.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.422 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -172.7 109.71 0.35 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.4 Cg_endo -75.0 -36.57 2.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 20' ' ' PRO . 3.4 t70 -37.06 -46.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -104.09 -46.34 4.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.66 80.97 0.41 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.576 HG21 ' CD2' ' A' ' 33' ' ' LEU . 39.5 t -131.66 144.81 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.94 165.2 22.7 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.405 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.91 144.88 31.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.31 -13.71 66.77 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.445 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 22.9 m -62.7 160.63 13.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 0.809 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 p -114.37 145.89 41.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 46' ' ' LYS . 19.1 t80 -60.52 -18.8 54.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -78.6 -21.71 48.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.21 5.15 46.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.708 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 15.9 mt -74.41 153.71 87.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.01 160.0 40.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.3 -29.02 61.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -84.4 11.72 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.475 ' CZ3' ' CE2' ' A' ' 30' ' ' PHE . 88.8 t90 -77.86 -55.46 5.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.755 HG12 ' HA ' ' A' ' 45' ' ' PRO . 35.6 m 42.69 -165.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.3 t -97.4 110.75 56.03 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 108.334 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.569 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 48.66 2.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.491 HG21 ' CD1' ' A' ' 11' ' ' TYR . 3.1 t -143.77 -57.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 14.5 p -106.45 -49.93 3.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 108.317 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.594 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 141.62 -38.32 1.52 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.594 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -24.57 136.27 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.755 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.4 Cg_endo -74.96 158.12 42.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -59.15 -18.76 38.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.16 -14.93 60.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.538 ' O ' HG22 ' A' ' 7' ' ' THR . 6.3 mt-10 -100.76 31.09 3.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.563 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 5.4 m-85 -113.66 146.22 40.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 111.047 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -153.44 144.49 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.657 ' HB2' ' HG2' ' A' ' 1' ' ' MET . . . -56.92 122.24 11.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 mtt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.498 0.19 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -144.85 116.31 8.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.222 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.434 ' HZ2' ' HB3' ' A' ' 3' ' ' LYS . 1.8 mmmp? -91.52 124.31 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -103.1 -169.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.2 t -161.23 156.68 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.5 t -83.15 147.89 27.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.303 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 48' ' ' GLU . 38.2 p -78.99 -56.99 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.499 HG21 ' HB2' ' A' ' 44' ' ' ALA . 45.6 t -48.52 -73.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -97.73 -167.12 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.25 91.87 0.53 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.624 ' CG ' HG21 ' A' ' 41' ' ' VAL . 10.1 t80 -139.74 115.92 10.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -92.1 131.18 37.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 24.1 t80 -93.28 143.09 26.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.44 105.83 55.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.459 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.98 -28.45 9.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.59 -6.03 46.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 6.3 tp10 -119.05 -50.11 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.458 ' HA2' HG12 ' A' ' 24' ' ' VAL . . . 115.13 -141.21 16.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.42 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 19.7 t70 -168.09 108.83 0.56 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.5 Cg_endo -74.94 -36.31 2.68 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' PRO . 4.2 t70 -36.8 -43.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -107.83 -48.47 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.3 81.2 0.27 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.689 HG21 ' CD2' ' A' ' 33' ' ' LEU . 19.5 t -131.57 138.79 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 mtmm -83.1 163.16 52.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.424 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.97 146.6 32.97 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.41 -11.34 70.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 95.7 m -67.46 157.13 34.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 110.385 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 p -106.42 159.15 16.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.651 ' CE2' ' CZ3' ' A' ' 37' ' ' TRP . 14.5 t80 -69.79 -16.72 63.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.73 -22.5 50.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.97 13.22 31.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.689 ' CD2' HG21 ' A' ' 24' ' ' VAL . 28.1 mt -83.32 152.78 65.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -74.94 169.59 22.28 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.67 -31.27 36.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.6 p30 -85.7 16.2 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.651 ' CZ3' ' CE2' ' A' ' 30' ' ' PHE . 81.4 t90 -77.88 -53.03 7.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 107.996 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.734 HG12 ' HA ' ' A' ' 45' ' ' PRO . 30.9 m 43.37 -162.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' ALA . 8.7 t -101.7 107.82 53.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.01 46.21 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.624 HG21 ' CG ' ' A' ' 11' ' ' TYR . 12.8 t -140.05 -47.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.3 p -119.67 -45.78 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 139.57 -37.01 1.78 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.563 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -27.0 139.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.734 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.95 163.54 35.21 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -61.83 -18.72 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.6 -8.8 57.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 7' ' ' THR . 28.7 mt-10 -107.96 35.39 3.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 1.8 m-85 -116.81 137.21 52.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -131.58 152.86 50.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.52 114.12 20.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.496 0.189 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.35 138.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.419 ' N ' ' HE3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -124.74 153.84 41.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -109.64 -169.85 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 11' ' ' TYR . 53.0 t -152.61 135.95 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.0 t -65.6 138.81 58.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' VAL . 67.2 p -78.45 -55.74 4.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.702 HG21 ' HB2' ' A' ' 44' ' ' ALA . 72.2 t -39.69 -72.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 1.8 p -97.52 -155.48 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 108.278 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.485 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -121.72 65.8 0.48 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CD1' HG11 ' A' ' 41' ' ' VAL . 32.0 t80 -111.31 156.84 20.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 0.79 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -136.37 134.08 37.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.864 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 43.8 t80 -108.64 150.48 27.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.48 114.23 33.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -32.38 5.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.83 -4.98 41.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 3.8 tp10 -114.2 -56.56 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.03 -134.49 10.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -176.23 108.55 0.25 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.536 1.808 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' PRO . 1.2 t70 -37.54 -47.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -105.48 -36.68 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.76 87.96 1.44 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.437 ' HB ' ' N ' ' A' ' 19' ' ' ASP . 38.5 t -134.08 156.44 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -98.72 160.3 28.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.419 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.03 146.03 32.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.45 -11.17 72.02 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.9 m -65.86 159.17 26.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.439 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 p -111.55 146.73 36.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CD2' HD12 ' A' ' 33' ' ' LEU . 21.7 t80 -60.07 -32.05 70.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -62.55 -14.13 38.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.66 -28.75 13.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.864 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 22.2 mt -46.7 149.17 1.53 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -74.99 170.79 19.64 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.28 -42.47 25.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.78 -4.59 12.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CE3' ' O ' ' A' ' 38' ' ' VAL . 90.4 t90 -61.99 -52.92 62.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.869 HG12 ' HA ' ' A' ' 45' ' ' PRO . 27.0 m 41.83 -160.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.702 ' SG ' HG13 ' A' ' 41' ' ' VAL . 12.4 t -103.83 106.36 52.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 108.275 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.612 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.3 Cg_endo -74.97 60.7 5.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.702 HG13 ' SG ' ' A' ' 39' ' ' CYS . 1.9 m -160.87 -41.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 11.6 p -120.44 -46.46 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 108.305 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.64 -41.39 1.46 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.702 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -25.64 138.35 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.869 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.03 164.55 33.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 9.9 pttm -62.34 -20.1 64.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.6 t -72.91 -9.06 58.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.997 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 31.2 mt-10 -107.2 35.19 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -119.19 133.45 55.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -129.2 142.3 50.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.7 131.53 50.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.466 0.174 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.44 175.66 9.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.92 145.62 47.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -114.58 -170.73 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 4' ' ' TYR . 69.9 t -158.37 137.2 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.13 135.69 57.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 108.297 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.573 HG21 ' HB2' ' A' ' 50' ' ' GLU . 66.1 p -100.93 41.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.4 t -140.53 -45.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 8.4 p -123.12 -50.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 108.239 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.469 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 114.22 95.03 2.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.529 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 6.3 t80 -145.65 96.62 2.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 0.754 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -62.35 120.9 11.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.85 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 27.9 t80 -92.39 147.93 22.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.89 104.32 51.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.507 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.96 -32.11 5.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.12 -4.73 40.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 15.8 tp10 -116.57 -57.03 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.556 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 116.61 -135.79 12.29 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 24' ' ' VAL . 0.6 OUTLIER 178.32 121.95 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -75.02 -34.69 3.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' PRO . 4.1 t70 -38.47 -51.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.503 ' ND2' ' CD1' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -117.69 39.05 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 22' ' ' ASN . . . 36.7 94.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.556 HG12 ' CA ' ' A' ' 18' ' ' GLY . 14.3 t -133.52 146.8 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -96.59 157.96 34.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.03 150.36 37.9 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.11 -11.57 70.47 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.448 1.093 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 76.6 m -70.39 136.78 49.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 110.355 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.7 p -90.21 148.58 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.583 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 15.0 t80 -61.33 -25.26 67.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.89 -10.17 59.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.16 -16.98 14.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.85 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 13.5 mt -54.86 157.09 5.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.1 Cg_endo -75.04 163.75 34.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.09 -30.34 58.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.1 12.72 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.649 ' CE2' HD13 ' A' ' 33' ' ' LEU . 86.6 t90 -77.9 -51.77 9.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 107.972 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.895 HG12 ' HA ' ' A' ' 45' ' ' PRO . 28.7 m 43.04 -165.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.49 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 10.8 t -98.41 108.55 48.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 108.275 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.04 47.02 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.49 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 61.3 t -140.89 -45.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 15.1 p -118.71 -48.36 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 108.305 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.545 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 140.16 -36.98 1.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.545 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -28.41 142.35 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.895 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.97 163.28 35.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -62.38 -17.91 60.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.73 -8.94 57.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.031 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.419 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 22.5 mt-10 -107.12 34.51 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.33 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 46' ' ' LYS . 11.0 m-85 -117.09 129.62 56.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.573 ' HB2' HG21 ' A' ' 7' ' ' THR . 0.2 OUTLIER -112.36 156.21 22.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.83 106.91 18.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.923 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.547 0.213 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.584 ' O ' ' CE1' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -136.65 149.92 48.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 13' ' ' TYR . 3.3 mptt -84.13 121.3 27.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.584 ' CE1' ' O ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -103.84 -167.23 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 11' ' ' TYR . 3.6 p -151.22 161.95 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.3 t -92.97 141.92 27.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 48' ' ' GLU . 64.6 p -71.7 -64.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.779 HG21 ' HB2' ' A' ' 44' ' ' ALA . 61.1 t -37.82 -70.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 2.1 p -99.06 -155.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 108.294 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.48 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -130.96 66.67 0.58 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.489 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 10.4 t80 -110.1 124.2 51.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -99.7 126.29 45.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.29 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 25.8 t80 -94.89 143.98 26.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.21 106.0 57.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.5 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.95 -29.65 8.08 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.35 -2.46 31.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -118.87 -55.72 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.501 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 120.4 -139.94 14.04 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -178.57 121.71 0.24 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.2 Cg_endo -75.04 -37.42 2.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -40.12 -45.64 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 23' ' ' GLY . 3.6 m-80 -119.25 34.33 5.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 36.39 91.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.54 HG21 ' CD2' ' A' ' 33' ' ' LEU . 14.6 t -132.64 152.16 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -100.21 163.76 17.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.41 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.94 152.71 41.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.1 -7.1 72.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 52.3 m -72.98 150.79 42.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 p -104.75 142.91 33.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.563 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 47.9 t80 -49.56 -45.57 47.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.053 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.86 -25.32 27.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -77.11 -34.69 56.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.543 HD12 ' CD1' ' A' ' 30' ' ' PHE . 96.3 mt -45.11 157.18 0.35 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.0 165.53 31.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.38 -30.62 63.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.59 1.68 16.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.453 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 11.5 t90 -85.5 136.75 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 107.993 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.873 HG12 ' HA ' ' A' ' 45' ' ' PRO . 28.2 m -152.3 145.73 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.532 ' SG ' HG13 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -37.22 98.42 0.16 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.333 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.526 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.0 64.4 6.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.532 HG13 ' SG ' ' A' ' 39' ' ' CYS . 1.7 m -158.01 -42.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER -126.18 -46.97 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.312 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.541 ' O ' ' O ' ' A' ' 44' ' ' ALA . . . 140.9 -127.59 3.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.779 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . 56.88 141.95 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.873 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.0 152.2 40.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -53.99 -17.78 2.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.84 -10.87 60.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.768 ' O ' HG23 ' A' ' 7' ' ' THR . 54.2 mt-10 -104.94 34.83 3.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.499 ' CG ' ' CZ ' ' A' ' 30' ' ' PHE . 1.8 m-85 -115.9 135.88 53.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -130.85 159.31 37.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.85 121.34 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.481 0.181 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.59 154.51 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt 42.15 91.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -110.08 -174.62 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.416 ' O ' ' CD1' ' A' ' 49' ' ' PHE . 3.2 p -146.04 164.02 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.3 t -88.85 142.7 27.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 108.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.6 p -101.0 39.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.357 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 t -143.14 -46.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 13.9 p -120.63 -50.77 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.454 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 108.46 80.12 1.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.544 ' CG ' HG21 ' A' ' 41' ' ' VAL . 20.1 t80 -125.35 93.31 3.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.85 121.2 9.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -95.41 144.66 25.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.75 108.32 56.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -32.4 5.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.36 -7.67 50.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 4.7 tp10 -111.51 -55.62 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.513 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 117.34 -134.86 11.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -178.33 120.34 0.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.303 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.88 2.31 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.77 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.96 -50.32 5.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 23' ' ' GLY . 6.2 m-80 -111.51 37.07 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 34.65 91.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.513 HG12 ' CA ' ' A' ' 18' ' ' GLY . 16.6 t -135.13 151.26 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -101.38 164.14 16.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.0 151.49 39.59 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.59 -12.16 66.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.103 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 29' ' ' SER . 79.4 m -65.1 168.27 6.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 110.43 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 28' ' ' THR . 0.3 OUTLIER -127.39 143.61 51.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.609 ' CG ' HD12 ' A' ' 33' ' ' LEU . 12.0 t80 -57.5 -32.64 67.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -69.99 -9.29 54.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.54 9.0 25.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.609 HD12 ' CG ' ' A' ' 30' ' ' PHE . 20.1 mt -73.76 164.19 62.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.419 ' HG2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.05 167.21 27.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.13 21.19 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.51 9.95 3.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.577 ' CZ2' ' HD3' ' A' ' 40' ' ' PRO . 11.7 t90 -88.73 141.61 28.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.97 HG12 ' HA ' ' A' ' 45' ' ' PRO . 15.6 m -149.28 151.65 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.413 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 9.3 t -44.02 103.4 0.32 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 108.251 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.577 ' HD3' ' CZ2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.01 53.94 3.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.797 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG21 ' CG ' ' A' ' 11' ' ' TYR . 87.0 t -146.5 -51.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.5 p -112.24 -41.3 3.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.561 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.88 -30.6 3.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.561 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -27.79 141.95 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.569 0.805 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.97 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.98 157.76 42.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 2.3 ptmm? -55.67 -26.74 46.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -9.53 52.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 11.2 mt-10 -103.65 32.84 3.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER -126.87 136.44 52.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -150.85 159.06 44.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.335 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.45 120.09 25.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtm . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.467 0.175 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER 51.67 178.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 2' ' ' LYS . 26.0 mmtp 42.27 91.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.533 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -102.25 -169.17 1.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.446 HG13 ' OG1' ' A' ' 7' ' ' THR . 3.9 p -148.51 143.55 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -41.18 -45.65 2.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 108.294 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 7' ' ' THR . 34.6 m 69.16 37.6 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.493 HG23 ' SG ' ' A' ' 6' ' ' CYS . 1.8 t -152.64 -44.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.47 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 5.1 p -125.95 -49.99 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 108.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.47 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 136.02 104.13 0.73 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 62.9 t80 -168.34 107.94 0.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -88.84 123.66 33.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.604 ' CE2' HD11 ' A' ' 33' ' ' LEU . 17.5 t80 -99.18 137.98 36.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.13 114.5 62.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.511 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.04 -32.84 4.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.49 -7.12 57.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -129.74 23.49 5.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.661 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 43.96 -140.55 3.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.453 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 3.4 t70 177.1 127.42 0.18 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.593 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -74.96 -168.57 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.593 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 3.7 t70 89.52 -35.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -123.24 -39.65 2.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.89 72.23 0.53 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.687 HG21 HD21 ' A' ' 33' ' ' LEU . 55.8 t -116.21 126.65 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -83.8 164.28 45.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.3 Cg_endo -74.96 145.49 31.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.01 5.41 62.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 29.2 m -96.14 144.08 26.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.733 . . . . 0.0 110.416 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -96.99 144.42 26.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CD2' HD12 ' A' ' 33' ' ' LEU . 14.7 t80 -58.83 -20.5 51.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.73 -8.12 54.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.66 -13.98 15.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.687 HD21 HG21 ' A' ' 24' ' ' VAL . 20.1 mt -54.91 150.68 18.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.0 135.0 18.5 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.96 -47.46 8.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -51.91 -37.0 50.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.626 ' O ' HG13 ' A' ' 38' ' ' VAL . 34.0 t90 -49.01 141.21 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 107.985 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.865 HG12 ' HA ' ' A' ' 45' ' ' PRO . 11.6 m -158.44 148.03 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 38' ' ' VAL . 5.9 t -37.67 103.58 0.27 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 108.293 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.571 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.01 45.83 1.42 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.492 HG21 ' CD1' ' A' ' 11' ' ' TYR . 4.9 t -136.64 -53.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.2 p -111.15 -36.82 5.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 108.297 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.57 17.42 6.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' ' 8' ' ' VAL . . . -63.44 139.83 97.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.737 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.865 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.98 143.67 29.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -56.45 -17.3 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.54 -16.47 58.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.949 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.456 ' HG3' ' HG2' ' A' ' 45' ' ' PRO . 47.6 mt-10 -101.95 22.36 13.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 4.2 m-85 -104.69 134.63 47.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -127.52 147.7 50.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.498 ' HB2' ' HD2' ' A' ' 4' ' ' TYR . . . -81.78 118.14 22.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.498 0.189 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -55.63 -169.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt 59.58 108.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.604 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -108.31 -171.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.931 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 11' ' ' TYR . 63.2 t -159.26 139.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 9' ' ' CYS . 8.4 t -68.47 151.02 47.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 108.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' VAL . 23.9 p -83.26 -65.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.429 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.492 ' CG2' ' OE1' ' A' ' 48' ' ' GLU . 11.5 t -38.97 -52.25 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -125.76 164.7 20.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 108.318 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.422 ' O ' HG13 ' A' ' 5' ' ' VAL . . . -59.88 -97.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.823 ' CD1' HG21 ' A' ' 41' ' ' VAL . 35.6 t80 51.48 174.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 9.9 pt-20 -164.76 133.46 3.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.434 ' HD2' ' CD1' ' A' ' 4' ' ' TYR . 17.3 t80 -93.48 145.48 24.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.7 106.17 55.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.466 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -75.05 -32.41 5.35 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.38 -4.94 42.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 3.9 tp10 -117.46 -55.96 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.67 -140.42 13.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.444 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -173.31 108.87 0.32 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.75 . . . . 0.0 109.259 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -75.02 -34.82 3.51 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' PRO . 3.1 t70 -36.17 -43.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -111.55 -40.96 4.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.09 87.75 0.97 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.444 ' HB ' ' N ' ' A' ' 19' ' ' ASP . 68.8 t -136.39 145.55 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -89.44 162.64 36.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.434 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.0 Cg_endo -75.06 147.53 33.81 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.555 1.818 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.4 -18.38 52.37 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 95.8 m -62.66 161.3 12.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 110.431 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.8 p -114.38 143.16 45.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.571 ' CG ' HD12 ' A' ' 33' ' ' LEU . 17.2 t80 -56.32 -20.08 17.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.12 -20.68 55.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.21 16.05 24.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.571 HD12 ' CG ' ' A' ' 30' ' ' PHE . 19.1 mt -77.19 162.82 68.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.01 171.61 17.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.47 10.63 24.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.46 5.52 10.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.587 ' O ' HG13 ' A' ' 38' ' ' VAL . 48.7 t90 -84.26 144.12 29.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 107.97 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.928 HG12 ' HA ' ' A' ' 45' ' ' PRO . 9.9 m -156.73 143.22 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.435 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 8.2 t -40.01 102.67 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 48.49 2.0 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.461 1.769 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.823 HG21 ' CD1' ' A' ' 11' ' ' TYR . 43.7 t -138.39 -49.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.4 p -114.55 -33.43 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 108.285 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.544 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 120.92 -29.98 5.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.039 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -28.38 144.33 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.928 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.1 Cg_endo -75.0 159.22 41.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -22.01 57.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -8.38 50.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.492 ' OE1' ' CG2' ' A' ' 8' ' ' VAL . 19.1 mt-10 -107.25 35.13 3.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.491 ' CD2' ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -123.77 138.69 54.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -138.03 145.69 42.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . -75.71 109.04 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 51' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.8 mttt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.588 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -93.28 -167.13 1.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 4' ' ' TYR . 39.8 t -156.01 155.3 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.6 t -84.97 145.82 27.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.0 p -104.82 43.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.1 t -148.18 -45.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 12.3 p -122.35 -50.87 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 108.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.46 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 108.27 85.03 1.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.453 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 10.7 t80 -128.05 86.06 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 4' ' ' TYR . 18.1 pt-20 -49.88 115.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.469 ' CE1' HD11 ' A' ' 33' ' ' LEU . 47.9 t80 -88.02 151.66 22.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.453 ' HB3' ' CB ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -117.68 107.44 44.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.404 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.02 -31.04 6.5 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.47 1.774 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 -7.0 53.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.453 ' CB ' ' HB3' ' A' ' 14' ' ' ASP . 1.4 tp10 -109.47 -56.21 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.42 -134.86 10.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.455 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 1.1 t70 -174.15 108.7 0.3 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.4 Cg_endo -75.0 -36.11 2.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 20' ' ' PRO . 2.5 t70 -37.99 -48.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -100.98 -44.76 5.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.33 83.69 0.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.598 HG21 ' CD2' ' A' ' 33' ' ' LEU . 98.9 t -133.92 148.92 30.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 0.763 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -92.97 163.59 24.93 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.4 Cg_endo -75.0 145.06 31.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.38 12.27 61.56 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 56.8 m -91.72 164.23 13.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -112.94 138.82 49.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.588 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 37.4 t80 -45.17 -52.95 8.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.44 -31.08 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.16 -32.86 72.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.598 ' CD2' HG21 ' A' ' 24' ' ' VAL . 63.2 mt -47.51 157.33 0.57 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.05 166.44 29.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.22 -31.2 62.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.61 2.37 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.45 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 16.3 t90 -85.33 138.0 32.59 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.886 HG12 ' HA ' ' A' ' 45' ' ' PRO . 15.7 m -151.07 151.07 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.6 t -43.26 103.23 0.31 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 108.281 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.0 54.4 3.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.6 t -145.79 -45.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 14.0 p -116.83 -49.31 2.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.316 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.574 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 138.35 -36.62 1.89 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.574 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -25.86 142.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.886 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.2 Cg_endo -74.98 156.9 43.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -57.99 -19.14 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.8 -12.66 61.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -105.42 35.18 2.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.466 ' CE1' ' C ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER -124.34 139.36 53.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 111.041 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -141.15 159.67 41.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.403 ' HB2' ' HD2' ' A' ' 4' ' ' TYR . . . -91.62 105.43 17.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -115.21 -173.57 2.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.651 HG12 ' H ' ' A' ' 7' ' ' THR . 29.8 t -141.71 147.28 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.484 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -44.47 -45.83 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 108.292 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.651 ' H ' HG12 ' A' ' 5' ' ' VAL . 19.8 m 71.3 36.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.48 HG23 ' SG ' ' A' ' 6' ' ' CYS . 1.9 t -152.56 -45.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 8.5 p -122.8 -49.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 108.268 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.467 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 133.58 93.57 0.51 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.544 1.152 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.562 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 42.7 t80 -155.3 106.65 2.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -88.87 121.47 31.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.434 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 27.2 t80 -95.96 141.16 29.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -110.69 110.33 57.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.495 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.04 -29.17 8.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.86 -5.27 37.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 0.8 OUTLIER -119.53 -57.26 2.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.476 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 118.56 -144.92 18.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.565 1.166 . . . . 0.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 24' ' ' VAL . 5.4 t70 -169.41 125.11 0.74 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.57 0.806 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.0 2.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.59 -50.35 5.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' GLY . 5.9 m-80 -110.94 31.76 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 34.54 85.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.052 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' ASP . 2.7 t -122.97 158.38 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.405 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 1.6 mtpt -102.62 162.29 20.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 150.43 38.23 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 84.01 -9.67 62.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 97.5 m -71.37 136.69 47.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 110.437 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 p -86.32 147.62 25.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.586 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 40.8 t80 -51.95 -49.17 63.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.38 -29.27 33.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.33 -28.85 65.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.496 ' CD2' HG21 ' A' ' 24' ' ' VAL . 48.4 mt -52.0 157.89 1.96 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -74.98 164.07 34.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.31 -30.31 64.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -77.18 2.54 15.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.444 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 12.3 t90 -86.67 129.97 34.66 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.578 HG12 ' HA ' ' A' ' 45' ' ' PRO . 27.0 m -150.28 151.68 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 38' ' ' VAL . 5.7 t -38.54 104.87 0.32 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 108.315 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.562 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.98 44.67 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.407 ' H ' ' C ' ' A' ' 39' ' ' CYS . 5.8 t -136.48 -57.87 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.2 p -106.94 -40.69 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.02 18.64 4.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.484 ' CB ' ' SG ' ' A' ' 6' ' ' CYS . . . -62.83 140.23 97.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.797 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.578 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.4 Cg_endo -74.98 141.83 27.17 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.531 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -55.41 -16.85 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -21.19 50.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 6' ' ' CYS . 59.8 mt-10 -97.3 26.83 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CG ' ' CZ ' ' A' ' 30' ' ' PHE . 5.3 m-85 -105.8 134.7 48.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 51' ' ' ALA . 5.7 tt0 -129.14 147.31 50.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 50' ' ' GLU . . . -74.61 126.94 31.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.073 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.596 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -106.19 -170.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.429 ' O ' ' OG1' ' A' ' 7' ' ' THR . 84.0 t -145.64 147.86 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 0.7 OUTLIER -46.04 -54.52 8.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 108.341 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 6' ' ' CYS . 3.7 m 80.1 29.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.403 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 2.5 t -146.35 -44.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 9.8 p -122.73 -49.86 1.98 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 108.275 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.458 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 132.98 100.31 0.74 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.49 1.118 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.536 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 61.8 t80 -162.65 111.04 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.03 122.23 33.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.513 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 26.2 t80 -96.0 139.74 31.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.41 113.21 60.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' GLY . 18.1 Cg_endo -75.04 -32.03 5.66 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -69.23 -13.44 62.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -110.3 -55.27 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.517 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 117.65 -132.0 9.67 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 24' ' ' VAL . 1.0 OUTLIER -179.95 121.91 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.75 . . . . 0.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -37.04 2.24 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.473 1.775 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -41.17 -49.33 3.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 23' ' ' GLY . 5.4 m-80 -115.71 35.11 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 22' ' ' ASN . . . 35.24 93.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.517 HG12 ' CA ' ' A' ' 18' ' ' GLY . 14.9 t -132.08 146.95 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.96 161.1 32.37 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 145.75 32.01 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 92.49 -19.04 53.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.46 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 51.7 m -59.58 150.23 27.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.7 150.55 25.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.68 ' CD1' HD12 ' A' ' 33' ' ' LEU . 10.9 t80 -61.29 -34.12 74.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.27 -14.82 53.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.65 -27.33 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.68 HD12 ' CD1' ' A' ' 30' ' ' PHE . 31.6 mt -46.55 153.36 0.77 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.435 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -74.99 137.68 22.06 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.59 -39.48 35.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -28.34 67.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.582 ' O ' HG13 ' A' ' 38' ' ' VAL . 27.4 t90 -55.38 139.83 41.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.034 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 45' ' ' PRO . 29.3 m -158.27 149.56 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.479 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 5.1 t -38.75 104.37 0.31 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 108.3 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.536 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.05 42.52 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.445 HG21 ' CD1' ' A' ' 11' ' ' TYR . 3.5 t -133.42 -53.61 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.6 p -112.41 -38.26 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 108.296 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.95 15.88 5.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.505 ' CB ' ' SG ' ' A' ' 6' ' ' CYS . . . -59.91 139.0 90.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.623 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.03 142.69 28.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -56.19 -16.63 5.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.56 -21.99 47.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 6' ' ' CYS . 93.0 mt-10 -97.0 23.22 7.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 3.1 m-85 -104.94 134.3 48.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -124.52 146.66 48.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.88 118.35 22.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.611 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -103.53 -172.37 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.569 HG22 ' HA2' ' A' ' 10' ' ' GLY . 2.6 p -148.69 156.49 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.492 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 1.6 t -83.93 140.86 31.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 108.27 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.6 p -94.37 40.63 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.405 HG23 ' SG ' ' A' ' 6' ' ' CYS . 2.2 t -145.44 -43.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 13.8 p -128.24 -50.42 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 108.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.569 ' HA2' HG22 ' A' ' 5' ' ' VAL . . . 136.36 -93.6 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.416 1.073 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.749 ' CG ' HG21 ' A' ' 41' ' ' VAL . 55.9 t80 35.22 92.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.755 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -69.5 128.5 36.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.658 ' CE1' HD11 ' A' ' 33' ' ' LEU . 40.5 t80 -86.46 145.89 26.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.98 108.88 55.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.464 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.1 Cg_endo -75.02 -31.61 6.04 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.448 1.762 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.84 -7.14 51.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 22.3 tp10 -110.0 -57.64 2.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.47 -133.38 8.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.453 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -176.08 108.98 0.25 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -74.99 -37.31 2.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' PRO . 2.8 t70 -38.84 -46.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -104.45 -30.27 10.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.11 89.09 2.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.535 HG21 ' CD2' ' A' ' 33' ' ' LEU . 42.4 t -135.9 159.1 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.37 160.94 25.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.41 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.04 145.47 31.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.63 9.24 64.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 72.0 m -91.3 155.53 18.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.788 . . . . 0.0 110.368 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.64 146.63 28.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.611 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 28.0 t80 -46.91 -53.45 12.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 110.958 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -45.71 -33.4 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.417 ' HB3' HG22 ' A' ' 28' ' ' THR . 10.8 t70 -65.59 -42.49 91.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.681 HD13 ' CE2' ' A' ' 37' ' ' TRP . 98.8 mt -39.76 150.27 0.25 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.0 177.77 8.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 37' ' ' TRP . . . -75.14 -59.56 2.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -46.01 -24.86 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.681 ' CE2' HD13 ' A' ' 33' ' ' LEU . 18.8 t90 -58.37 140.55 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 108.028 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.725 HG12 ' HA ' ' A' ' 45' ' ' PRO . 9.8 m -159.17 156.19 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.2 t -40.95 104.19 0.33 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 108.323 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.52 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -75.05 49.45 2.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.749 HG21 ' CG ' ' A' ' 11' ' ' TYR . 96.2 t -144.22 -59.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.603 ' SG ' ' HB2' ' A' ' 44' ' ' ALA . 1.9 p -107.36 -21.77 12.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.343 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.2 -0.15 47.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.603 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -47.41 142.5 6.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.725 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.4 Cg_endo -74.94 148.47 35.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 5.2 ptmm? -52.73 -20.42 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.7 p -75.39 -12.12 60.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -101.91 31.84 3.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 5' ' ' VAL . 0.7 OUTLIER -126.35 135.72 51.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -148.26 142.78 26.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.21 120.65 11.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -117.2 -171.62 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 7' ' ' THR . 95.7 t -150.26 144.32 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 49' ' ' PHE . 1.7 t -41.34 -44.88 2.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.307 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.521 ' H ' HG12 ' A' ' 5' ' ' VAL . 33.5 m 70.71 27.2 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 6' ' ' CYS . 2.3 t -143.3 -45.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 5.1 p -123.4 -50.08 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 108.293 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.473 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 133.96 106.24 0.92 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.808 ' CD1' HG21 ' A' ' 41' ' ' VAL . 33.0 t80 -169.63 104.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.783 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.41 117.84 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CD2' ' HD2' ' A' ' 30' ' ' PHE . 22.2 t80 -94.65 133.11 38.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.38 113.01 62.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.507 ' HG3' ' CE1' ' A' ' 4' ' ' TYR . 18.4 Cg_endo -74.97 -32.53 5.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.512 1.796 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.98 -11.23 60.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' O ' ' CA ' ' A' ' 26' ' ' PRO . 48.7 tp10 -106.33 -57.45 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.249 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.456 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 119.28 -136.23 11.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 24' ' ' VAL . 4.4 t0 179.58 121.0 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.56 2.51 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -41.69 -51.25 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' GLY . 5.1 m-80 -110.19 33.8 4.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' ASN . . . 37.46 92.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 19' ' ' ASP . 14.3 t -134.74 157.84 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 0.792 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 11.1 pttt -109.19 159.9 29.54 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.411 ' CA ' ' O ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 147.54 34.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.448 1.762 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.97 6.45 67.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 29' ' ' SER . 77.5 m -87.79 173.27 9.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 110.336 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.512 ' N ' HG22 ' A' ' 28' ' ' THR . 0.7 OUTLIER -129.09 152.02 49.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.668 ' CD2' HD12 ' A' ' 33' ' ' LEU . 10.9 t80 -67.33 -23.26 65.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -74.8 -12.16 60.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.56 -4.82 17.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.668 HD12 ' CD2' ' A' ' 30' ' ' PHE . 16.4 mt -59.95 163.27 7.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HG2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.0 166.82 28.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.15 14.72 8.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.23 7.04 7.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.414 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . 28.9 t90 -84.98 135.93 33.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.467 ' O ' ' C ' ' A' ' 39' ' ' CYS . 28.2 m -150.86 145.19 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.48 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 4.5 t -37.34 104.94 0.29 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.289 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.512 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.01 46.52 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.808 HG21 ' CD1' ' A' ' 11' ' ' TYR . 9.6 t -138.62 -52.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.2 p -112.25 -41.08 3.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 108.282 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.05 17.53 3.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.517 ' CB ' ' SG ' ' A' ' 6' ' ' CYS . . . -61.81 140.09 95.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.459 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.4 Cg_endo -74.98 142.54 28.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.517 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -54.21 -18.41 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.99 -22.49 53.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.49 ' O ' ' O ' ' A' ' 6' ' ' CYS . 50.9 mt-10 -95.67 25.48 4.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.572 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 3.3 m-85 -110.47 135.17 51.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -130.37 149.39 52.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.409 ' HB2' ' HD2' ' A' ' 4' ' ' TYR . . . -86.09 110.84 19.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.578 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -113.39 -171.03 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 4' ' ' TYR . 49.2 t -157.45 159.38 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.465 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 2.1 t -87.0 138.31 31.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.6 p -77.44 -34.63 54.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.449 ' CG2' ' OE1' ' A' ' 48' ' ' GLU . 21.8 t -65.0 -83.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 9.2 p -88.48 -53.43 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 108.319 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.512 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 101.34 98.89 2.36 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.602 ' CG ' HG21 ' A' ' 41' ' ' VAL . 17.0 t80 -132.81 83.47 2.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 0.753 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' TYR . 45.5 tt0 -35.61 118.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.472 ' CE1' HD11 ' A' ' 33' ' ' LEU . 36.2 t80 -89.91 145.45 25.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.466 ' HB2' ' CB ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -108.25 105.86 57.44 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.431 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -75.0 -33.16 4.79 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.543 1.812 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.47 -12.82 60.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' CB ' ' HB2' ' A' ' 14' ' ' ASP . 1.1 tp10 -103.54 -56.66 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.23 -133.4 9.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.443 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -176.9 108.85 0.23 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.2 Cg_endo -75.04 -36.58 2.44 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 20' ' ' PRO . 2.4 t70 -37.78 -44.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -107.16 -37.17 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.26 87.17 1.5 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 33' ' ' LEU . 53.7 t -137.01 142.91 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -86.8 161.99 45.82 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.3 Cg_endo -74.98 142.86 28.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.73 -9.5 58.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.431 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 92.2 m -74.9 159.39 31.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.2 p -113.66 140.96 47.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.742 ' CD2' HD12 ' A' ' 33' ' ' LEU . 29.9 t80 -56.97 -15.88 5.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -79.81 -2.61 44.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.83 -13.85 12.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.742 HD12 ' CD2' ' A' ' 30' ' ' PHE . 20.4 mt -54.12 151.55 12.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -74.99 137.76 22.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.551 1.816 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.89 -44.12 19.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.411 ' O ' HG13 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -55.17 -33.31 62.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.582 ' CH2' ' HD3' ' A' ' 40' ' ' PRO . 18.2 t90 -54.47 139.63 36.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' ' 45' ' ' PRO . 20.7 m -148.59 150.69 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.6 t -39.95 104.76 0.34 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 108.325 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.582 ' HD3' ' CH2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -75.02 53.81 3.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.602 HG21 ' CG ' ' A' ' 11' ' ' TYR . 46.4 t -147.24 -52.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 44' ' ' ALA . 10.3 p -110.75 -37.18 5.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.63 20.62 6.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 39' ' ' CYS . . . -73.44 140.82 79.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.439 0.729 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.861 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.03 136.35 20.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -47.67 -24.19 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -59.15 -21.67 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.996 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' OE1' ' CG2' ' A' ' 8' ' ' VAL . 49.5 mt-10 -89.62 -50.03 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.457 ' CD2' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -35.31 136.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.983 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -134.27 157.43 46.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.448 ' HB2' ' HD2' ' A' ' 4' ' ' TYR . . . -92.65 110.29 21.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -120.05 -176.17 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.3 t -152.96 154.12 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.481 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 9.6 t -70.93 162.14 29.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 108.302 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.426 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 1.1 p -86.9 -76.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.483 ' CG2' ' SG ' ' A' ' 42' ' ' CYS . 23.2 m -38.89 -47.92 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.401 ' N ' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -122.62 178.7 4.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.315 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 11' ' ' TYR . . . -85.15 -109.0 0.67 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.791 ' CD1' HG21 ' A' ' 41' ' ' VAL . 52.1 t80 55.56 114.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -98.92 136.86 38.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.71 ' CE1' HD11 ' A' ' 33' ' ' LEU . 67.5 t80 -90.25 134.34 34.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.444 ' HB3' ' CB ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -106.58 108.03 61.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.464 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.97 -33.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.87 -9.85 59.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 14' ' ' ASP . 4.6 tp10 -109.13 -56.84 2.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.38 -131.6 9.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 24' ' ' VAL . 1.3 t70 -179.52 122.72 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -37.65 1.95 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -44.04 -53.47 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' GLY . 8.7 m-80 -105.81 31.25 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 35.28 91.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 19' ' ' ASP . 82.8 t -133.3 147.24 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -92.56 160.22 35.03 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.64 34.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.91 4.47 69.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.551 1.157 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 84.6 m -82.22 158.85 23.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 0.721 . . . . 0.0 110.379 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 p -110.82 136.96 49.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CD2' HD12 ' A' ' 33' ' ' LEU . 13.9 t80 -56.18 -26.11 49.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -74.01 -3.67 30.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.41 7.61 16.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.71 HD11 ' CE1' ' A' ' 13' ' ' TYR . 17.0 mt -71.38 154.19 93.66 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.404 ' HG2' ' HB2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -75.06 156.26 42.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.09 -24.15 65.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.41 5.67 22.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.722 ' O ' HG13 ' A' ' 38' ' ' VAL . 26.0 t90 -91.48 146.1 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 108.015 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.907 HG12 ' HA ' ' A' ' 45' ' ' PRO . 4.8 m -160.39 152.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.529 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 6.2 t -40.26 102.73 0.27 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.587 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.02 50.58 2.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.543 1.812 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.791 HG21 ' CD1' ' A' ' 11' ' ' TYR . 80.3 t -144.31 -53.88 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 44' ' ' ALA . 1.8 p -113.57 -16.49 12.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.333 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.38 -7.6 58.3 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.451 1.094 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.633 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -42.15 142.02 1.28 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.907 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.4 Cg_endo -75.02 153.79 41.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.34 -23.38 15.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.03 -5.23 47.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HG3' ' HG2' ' A' ' 45' ' ' PRO . 4.1 mt-10 -104.57 29.22 6.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -120.12 133.97 55.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 51' ' ' ALA . 7.6 tt0 -139.0 147.66 42.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 50' ' ' GLU . . . -80.22 113.33 18.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 mmtt . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.525 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -117.55 -173.86 2.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -153.4 147.16 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.654 ' O ' HG22 ' A' ' 7' ' ' THR . 6.1 t -43.88 -54.27 5.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 0.0 108.27 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER 80.4 14.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.488 HG23 ' SG ' ' A' ' 6' ' ' CYS . 1.9 t -130.22 -43.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 7.3 p -122.77 -49.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.466 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 127.28 99.01 1.03 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.569 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 73.4 t80 -162.79 88.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 111.009 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -66.33 130.96 44.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.708 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 37.8 t80 -93.17 145.45 24.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -112.29 104.79 56.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.445 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -75.0 -33.26 4.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.22 -10.3 59.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 2.1 tp10 -111.56 -56.37 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.1 -138.18 12.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.422 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -172.7 109.71 0.35 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.4 Cg_endo -75.0 -36.57 2.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 20' ' ' PRO . 3.4 t70 -37.06 -46.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -104.09 -46.34 4.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.66 80.97 0.41 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.576 HG21 ' CD2' ' A' ' 33' ' ' LEU . 39.5 t -131.66 144.81 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.94 165.2 22.7 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.405 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.91 144.88 31.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.31 -13.71 66.77 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.445 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 22.9 m -62.7 160.63 13.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 0.809 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 p -114.37 145.89 41.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 46' ' ' LYS . 19.1 t80 -60.52 -18.8 54.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -78.6 -21.71 48.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.21 5.15 46.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.708 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 15.9 mt -74.41 153.71 87.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.01 160.0 40.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.3 -29.02 61.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -84.4 11.72 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.475 ' CZ3' ' CE2' ' A' ' 30' ' ' PHE . 88.8 t90 -77.86 -55.46 5.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.755 HG12 ' HA ' ' A' ' 45' ' ' PRO . 35.6 m 42.69 -165.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.3 t -97.4 110.75 56.03 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 108.334 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.569 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 48.66 2.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.491 HG21 ' CD1' ' A' ' 11' ' ' TYR . 3.1 t -143.77 -57.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 14.5 p -106.45 -49.93 3.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 108.317 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.594 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 141.62 -38.32 1.52 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.594 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -24.57 136.27 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.755 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.4 Cg_endo -74.96 158.12 42.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -59.15 -18.76 38.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.16 -14.93 60.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.538 ' O ' HG22 ' A' ' 7' ' ' THR . 6.3 mt-10 -100.76 31.09 3.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.563 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 5.4 m-85 -113.66 146.22 40.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 111.047 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -153.44 144.49 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.92 122.24 11.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.434 ' HZ2' ' HB3' ' A' ' 3' ' ' LYS . 1.8 mmmp? . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -103.1 -169.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.2 t -161.23 156.68 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.5 t -83.15 147.89 27.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.303 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 48' ' ' GLU . 38.2 p -78.99 -56.99 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.499 HG21 ' HB2' ' A' ' 44' ' ' ALA . 45.6 t -48.52 -73.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -97.73 -167.12 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.25 91.87 0.53 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.624 ' CG ' HG21 ' A' ' 41' ' ' VAL . 10.1 t80 -139.74 115.92 10.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -92.1 131.18 37.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 24.1 t80 -93.28 143.09 26.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.44 105.83 55.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.459 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.98 -28.45 9.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.59 -6.03 46.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 6.3 tp10 -119.05 -50.11 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.458 ' HA2' HG12 ' A' ' 24' ' ' VAL . . . 115.13 -141.21 16.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.42 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 19.7 t70 -168.09 108.83 0.56 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.5 Cg_endo -74.94 -36.31 2.68 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' PRO . 4.2 t70 -36.8 -43.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -107.83 -48.47 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.3 81.2 0.27 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.689 HG21 ' CD2' ' A' ' 33' ' ' LEU . 19.5 t -131.57 138.79 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 mtmm -83.1 163.16 52.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.424 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.97 146.6 32.97 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.41 -11.34 70.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 95.7 m -67.46 157.13 34.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 110.385 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 p -106.42 159.15 16.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.651 ' CE2' ' CZ3' ' A' ' 37' ' ' TRP . 14.5 t80 -69.79 -16.72 63.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.73 -22.5 50.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.97 13.22 31.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.689 ' CD2' HG21 ' A' ' 24' ' ' VAL . 28.1 mt -83.32 152.78 65.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -74.94 169.59 22.28 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.67 -31.27 36.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.6 p30 -85.7 16.2 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.651 ' CZ3' ' CE2' ' A' ' 30' ' ' PHE . 81.4 t90 -77.88 -53.03 7.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 107.996 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.734 HG12 ' HA ' ' A' ' 45' ' ' PRO . 30.9 m 43.37 -162.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' ALA . 8.7 t -101.7 107.82 53.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.507 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.01 46.21 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.624 HG21 ' CG ' ' A' ' 11' ' ' TYR . 12.8 t -140.05 -47.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.3 p -119.67 -45.78 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 139.57 -37.01 1.78 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.563 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -27.0 139.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.734 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.95 163.54 35.21 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -61.83 -18.72 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.6 -8.8 57.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 7' ' ' THR . 28.7 mt-10 -107.96 35.39 3.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 1.8 m-85 -116.81 137.21 52.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -131.58 152.86 50.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.52 114.12 20.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.419 ' N ' ' HE3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -109.64 -169.85 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 11' ' ' TYR . 53.0 t -152.61 135.95 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.0 t -65.6 138.81 58.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' VAL . 67.2 p -78.45 -55.74 4.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.702 HG21 ' HB2' ' A' ' 44' ' ' ALA . 72.2 t -39.69 -72.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 1.8 p -97.52 -155.48 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 108.278 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.485 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -121.72 65.8 0.48 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CD1' HG11 ' A' ' 41' ' ' VAL . 32.0 t80 -111.31 156.84 20.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 0.79 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -136.37 134.08 37.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.864 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 43.8 t80 -108.64 150.48 27.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.48 114.23 33.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -32.38 5.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.83 -4.98 41.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.419 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 3.8 tp10 -114.2 -56.56 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.03 -134.49 10.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.437 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -176.23 108.55 0.25 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.536 1.808 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' PRO . 1.2 t70 -37.54 -47.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -105.48 -36.68 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.76 87.96 1.44 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.437 ' HB ' ' N ' ' A' ' 19' ' ' ASP . 38.5 t -134.08 156.44 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -98.72 160.3 28.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.419 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.03 146.03 32.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.45 -11.17 72.02 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.9 m -65.86 159.17 26.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.439 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 p -111.55 146.73 36.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CD2' HD12 ' A' ' 33' ' ' LEU . 21.7 t80 -60.07 -32.05 70.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -62.55 -14.13 38.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.66 -28.75 13.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.864 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 22.2 mt -46.7 149.17 1.53 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -74.99 170.79 19.64 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.28 -42.47 25.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.78 -4.59 12.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CE3' ' O ' ' A' ' 38' ' ' VAL . 90.4 t90 -61.99 -52.92 62.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.869 HG12 ' HA ' ' A' ' 45' ' ' PRO . 27.0 m 41.83 -160.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.702 ' SG ' HG13 ' A' ' 41' ' ' VAL . 12.4 t -103.83 106.36 52.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 108.275 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.612 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.3 Cg_endo -74.97 60.7 5.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.702 HG13 ' SG ' ' A' ' 39' ' ' CYS . 1.9 m -160.87 -41.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 11.6 p -120.44 -46.46 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 108.305 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.64 -41.39 1.46 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.702 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -25.64 138.35 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.869 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.03 164.55 33.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 9.9 pttm -62.34 -20.1 64.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.6 t -72.91 -9.06 58.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.997 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 31.2 mt-10 -107.2 35.19 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -119.19 133.45 55.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -129.2 142.3 50.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.7 131.53 50.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.953 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -114.58 -170.73 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 4' ' ' TYR . 69.9 t -158.37 137.2 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.13 135.69 57.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 108.297 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.573 HG21 ' HB2' ' A' ' 50' ' ' GLU . 66.1 p -100.93 41.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.4 t -140.53 -45.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 8.4 p -123.12 -50.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 108.239 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.469 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 114.22 95.03 2.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.529 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 6.3 t80 -145.65 96.62 2.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 0.754 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -62.35 120.9 11.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.85 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 27.9 t80 -92.39 147.93 22.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.89 104.32 51.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.507 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.96 -32.11 5.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.12 -4.73 40.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 15.8 tp10 -116.57 -57.03 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.556 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 116.61 -135.79 12.29 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 24' ' ' VAL . 0.6 OUTLIER 178.32 121.95 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -75.02 -34.69 3.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' PRO . 4.1 t70 -38.47 -51.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.503 ' ND2' ' CD1' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -117.69 39.05 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 22' ' ' ASN . . . 36.7 94.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.556 HG12 ' CA ' ' A' ' 18' ' ' GLY . 14.3 t -133.52 146.8 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -96.59 157.96 34.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.03 150.36 37.9 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.11 -11.57 70.47 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.448 1.093 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 76.6 m -70.39 136.78 49.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 110.355 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.7 p -90.21 148.58 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.583 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 15.0 t80 -61.33 -25.26 67.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.89 -10.17 59.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.16 -16.98 14.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.85 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 13.5 mt -54.86 157.09 5.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.1 Cg_endo -75.04 163.75 34.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.09 -30.34 58.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.1 12.72 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.649 ' CE2' HD13 ' A' ' 33' ' ' LEU . 86.6 t90 -77.9 -51.77 9.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 107.972 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.895 HG12 ' HA ' ' A' ' 45' ' ' PRO . 28.7 m 43.04 -165.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.49 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 10.8 t -98.41 108.55 48.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 108.275 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.04 47.02 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.49 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 61.3 t -140.89 -45.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 15.1 p -118.71 -48.36 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 108.305 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.545 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 140.16 -36.98 1.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.545 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -28.41 142.35 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.895 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.97 163.28 35.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -62.38 -17.91 60.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.73 -8.94 57.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.031 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.419 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 22.5 mt-10 -107.12 34.51 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.33 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 46' ' ' LYS . 11.0 m-85 -117.09 129.62 56.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.573 ' HB2' HG21 ' A' ' 7' ' ' THR . 0.2 OUTLIER -112.36 156.21 22.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.83 106.91 18.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.923 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 13' ' ' TYR . 3.3 mptt . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -103.84 -167.23 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 11' ' ' TYR . 3.6 p -151.22 161.95 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.3 t -92.97 141.92 27.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 48' ' ' GLU . 64.6 p -71.7 -64.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.779 HG21 ' HB2' ' A' ' 44' ' ' ALA . 61.1 t -37.82 -70.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 2.1 p -99.06 -155.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 108.294 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.48 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -130.96 66.67 0.58 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.489 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 10.4 t80 -110.1 124.2 51.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -99.7 126.29 45.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.29 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 25.8 t80 -94.89 143.98 26.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.21 106.0 57.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.5 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.95 -29.65 8.08 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.35 -2.46 31.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -118.87 -55.72 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.501 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 120.4 -139.94 14.04 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -178.57 121.71 0.24 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.2 Cg_endo -75.04 -37.42 2.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -40.12 -45.64 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 23' ' ' GLY . 3.6 m-80 -119.25 34.33 5.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 36.39 91.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.54 HG21 ' CD2' ' A' ' 33' ' ' LEU . 14.6 t -132.64 152.16 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -100.21 163.76 17.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.41 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.94 152.71 41.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.1 -7.1 72.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 52.3 m -72.98 150.79 42.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 p -104.75 142.91 33.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.563 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 47.9 t80 -49.56 -45.57 47.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.053 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.86 -25.32 27.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -77.11 -34.69 56.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.543 HD12 ' CD1' ' A' ' 30' ' ' PHE . 96.3 mt -45.11 157.18 0.35 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.0 165.53 31.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.38 -30.62 63.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.59 1.68 16.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.453 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 11.5 t90 -85.5 136.75 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 107.993 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.873 HG12 ' HA ' ' A' ' 45' ' ' PRO . 28.2 m -152.3 145.73 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.532 ' SG ' HG13 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -37.22 98.42 0.16 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.333 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.526 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.0 64.4 6.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.532 HG13 ' SG ' ' A' ' 39' ' ' CYS . 1.7 m -158.01 -42.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER -126.18 -46.97 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.312 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.541 ' O ' ' O ' ' A' ' 44' ' ' ALA . . . 140.9 -127.59 3.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.779 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . 56.88 141.95 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.873 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.0 152.2 40.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -53.99 -17.78 2.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.84 -10.87 60.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.768 ' O ' HG23 ' A' ' 7' ' ' THR . 54.2 mt-10 -104.94 34.83 3.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.499 ' CG ' ' CZ ' ' A' ' 30' ' ' PHE . 1.8 m-85 -115.9 135.88 53.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -130.85 159.31 37.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.85 121.34 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -110.08 -174.62 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.416 ' O ' ' CD1' ' A' ' 49' ' ' PHE . 3.2 p -146.04 164.02 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.3 t -88.85 142.7 27.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 108.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.6 p -101.0 39.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.357 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 t -143.14 -46.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 13.9 p -120.63 -50.77 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.454 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 108.46 80.12 1.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.544 ' CG ' HG21 ' A' ' 41' ' ' VAL . 20.1 t80 -125.35 93.31 3.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.85 121.2 9.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -95.41 144.66 25.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.75 108.32 56.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -32.4 5.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.36 -7.67 50.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 4.7 tp10 -111.51 -55.62 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.513 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 117.34 -134.86 11.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -178.33 120.34 0.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.303 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.88 2.31 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.77 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.96 -50.32 5.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 23' ' ' GLY . 6.2 m-80 -111.51 37.07 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 34.65 91.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.513 HG12 ' CA ' ' A' ' 18' ' ' GLY . 16.6 t -135.13 151.26 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -101.38 164.14 16.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.0 151.49 39.59 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.59 -12.16 66.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.103 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 29' ' ' SER . 79.4 m -65.1 168.27 6.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 110.43 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 28' ' ' THR . 0.3 OUTLIER -127.39 143.61 51.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.609 ' CG ' HD12 ' A' ' 33' ' ' LEU . 12.0 t80 -57.5 -32.64 67.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -69.99 -9.29 54.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.54 9.0 25.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.609 HD12 ' CG ' ' A' ' 30' ' ' PHE . 20.1 mt -73.76 164.19 62.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.419 ' HG2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.05 167.21 27.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.13 21.19 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.51 9.95 3.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.577 ' CZ2' ' HD3' ' A' ' 40' ' ' PRO . 11.7 t90 -88.73 141.61 28.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.97 HG12 ' HA ' ' A' ' 45' ' ' PRO . 15.6 m -149.28 151.65 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.413 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 9.3 t -44.02 103.4 0.32 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 108.251 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.577 ' HD3' ' CZ2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.01 53.94 3.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.797 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.544 HG21 ' CG ' ' A' ' 11' ' ' TYR . 87.0 t -146.5 -51.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.5 p -112.24 -41.3 3.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.561 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.88 -30.6 3.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.561 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -27.79 141.95 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.569 0.805 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.97 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.98 157.76 42.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 2.3 ptmm? -55.67 -26.74 46.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -9.53 52.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 11.2 mt-10 -103.65 32.84 3.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER -126.87 136.44 52.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -150.85 159.06 44.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.335 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.45 120.09 25.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 -179.98 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.0 mmtp . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.533 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -102.25 -169.17 1.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.446 HG13 ' OG1' ' A' ' 7' ' ' THR . 3.9 p -148.51 143.55 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -41.18 -45.65 2.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 108.294 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 7' ' ' THR . 34.6 m 69.16 37.6 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.493 HG23 ' SG ' ' A' ' 6' ' ' CYS . 1.8 t -152.64 -44.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.47 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 5.1 p -125.95 -49.99 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 108.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.47 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 136.02 104.13 0.73 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 62.9 t80 -168.34 107.94 0.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -88.84 123.66 33.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.604 ' CE2' HD11 ' A' ' 33' ' ' LEU . 17.5 t80 -99.18 137.98 36.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.13 114.5 62.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.511 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.04 -32.84 4.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.49 -7.12 57.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -129.74 23.49 5.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.661 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 43.96 -140.55 3.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.453 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 3.4 t70 177.1 127.42 0.18 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.593 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -74.96 -168.57 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.593 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 3.7 t70 89.52 -35.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -123.24 -39.65 2.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.89 72.23 0.53 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.687 HG21 HD21 ' A' ' 33' ' ' LEU . 55.8 t -116.21 126.65 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -83.8 164.28 45.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.3 Cg_endo -74.96 145.49 31.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.01 5.41 62.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 29.2 m -96.14 144.08 26.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.733 . . . . 0.0 110.416 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -96.99 144.42 26.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CD2' HD12 ' A' ' 33' ' ' LEU . 14.7 t80 -58.83 -20.5 51.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.73 -8.12 54.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.66 -13.98 15.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.687 HD21 HG21 ' A' ' 24' ' ' VAL . 20.1 mt -54.91 150.68 18.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.0 135.0 18.5 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.96 -47.46 8.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -51.91 -37.0 50.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.626 ' O ' HG13 ' A' ' 38' ' ' VAL . 34.0 t90 -49.01 141.21 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 107.985 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.865 HG12 ' HA ' ' A' ' 45' ' ' PRO . 11.6 m -158.44 148.03 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 38' ' ' VAL . 5.9 t -37.67 103.58 0.27 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 108.293 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.571 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.01 45.83 1.42 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.492 HG21 ' CD1' ' A' ' 11' ' ' TYR . 4.9 t -136.64 -53.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.2 p -111.15 -36.82 5.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 108.297 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.57 17.42 6.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' ' 8' ' ' VAL . . . -63.44 139.83 97.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.737 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.865 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.98 143.67 29.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.417 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -56.45 -17.3 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.54 -16.47 58.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.949 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.456 ' HG3' ' HG2' ' A' ' 45' ' ' PRO . 47.6 mt-10 -101.95 22.36 13.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 4.2 m-85 -104.69 134.63 47.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -127.52 147.7 50.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.498 ' HB2' ' HD2' ' A' ' 4' ' ' TYR . . . -81.78 118.14 22.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.604 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -108.31 -171.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.931 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 11' ' ' TYR . 63.2 t -159.26 139.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 9' ' ' CYS . 8.4 t -68.47 151.02 47.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 108.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' VAL . 23.9 p -83.26 -65.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.429 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.492 ' CG2' ' OE1' ' A' ' 48' ' ' GLU . 11.5 t -38.97 -52.25 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -125.76 164.7 20.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 108.318 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.422 ' O ' HG13 ' A' ' 5' ' ' VAL . . . -59.88 -97.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.823 ' CD1' HG21 ' A' ' 41' ' ' VAL . 35.6 t80 51.48 174.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 9.9 pt-20 -164.76 133.46 3.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.434 ' HD2' ' CD1' ' A' ' 4' ' ' TYR . 17.3 t80 -93.48 145.48 24.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.7 106.17 55.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.466 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -75.05 -32.41 5.35 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.38 -4.94 42.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.434 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 3.9 tp10 -117.46 -55.96 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.67 -140.42 13.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.444 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -173.31 108.87 0.32 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.75 . . . . 0.0 109.259 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -75.02 -34.82 3.51 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' PRO . 3.1 t70 -36.17 -43.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -111.55 -40.96 4.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.09 87.75 0.97 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.444 ' HB ' ' N ' ' A' ' 19' ' ' ASP . 68.8 t -136.39 145.55 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -89.44 162.64 36.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.434 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.0 Cg_endo -75.06 147.53 33.81 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.555 1.818 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.4 -18.38 52.37 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 95.8 m -62.66 161.3 12.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 110.431 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.8 p -114.38 143.16 45.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.571 ' CG ' HD12 ' A' ' 33' ' ' LEU . 17.2 t80 -56.32 -20.08 17.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.12 -20.68 55.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.21 16.05 24.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.571 HD12 ' CG ' ' A' ' 30' ' ' PHE . 19.1 mt -77.19 162.82 68.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.01 171.61 17.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.47 10.63 24.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.46 5.52 10.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.587 ' O ' HG13 ' A' ' 38' ' ' VAL . 48.7 t90 -84.26 144.12 29.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 107.97 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.928 HG12 ' HA ' ' A' ' 45' ' ' PRO . 9.9 m -156.73 143.22 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.435 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 8.2 t -40.01 102.67 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 48.49 2.0 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.461 1.769 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.823 HG21 ' CD1' ' A' ' 11' ' ' TYR . 43.7 t -138.39 -49.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.4 p -114.55 -33.43 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 108.285 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.544 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 120.92 -29.98 5.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.039 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -28.38 144.33 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.928 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.1 Cg_endo -75.0 159.22 41.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -22.01 57.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -8.38 50.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.492 ' OE1' ' CG2' ' A' ' 8' ' ' VAL . 19.1 mt-10 -107.25 35.13 3.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.491 ' CD2' ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -123.77 138.69 54.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -138.03 145.69 42.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . -75.71 109.04 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 51' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.488 0.185 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 6.4 mttt -123.46 14.0 9.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.8 mttt -40.62 108.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.105 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.588 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -93.28 -167.13 1.65 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 110.996 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 4' ' ' TYR . 39.8 t -156.01 155.3 5.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.6 t -84.97 145.82 27.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.079 . . . . 0.0 108.311 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.0 p -104.82 43.06 1.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.396 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 44.1 t -148.18 -45.5 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 12.3 p -122.35 -50.87 1.99 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 108.31 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.46 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 108.27 85.03 1.69 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.53 1.144 . . . . 0.0 110.951 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.453 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 10.7 t80 -128.05 86.06 2.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 0.769 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.405 ' HA ' ' O ' ' A' ' 4' ' ' TYR . 18.1 pt-20 -49.88 115.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.258 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.469 ' CE1' HD11 ' A' ' 33' ' ' LEU . 47.9 t80 -88.02 151.66 22.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 111.032 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.453 ' HB3' ' CB ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -117.68 107.44 44.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.404 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.02 -31.04 6.5 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.47 1.774 . . . . 0.0 110.95 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.94 -7.0 53.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' CB ' ' HB3' ' A' ' 14' ' ' ASP . 1.4 tp10 -109.47 -56.21 2.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.558 1.161 . . . . 0.0 110.296 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.42 -134.86 10.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.488 1.118 . . . . 0.0 111.023 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.455 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 1.1 t70 -174.15 108.7 0.3 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.524 0.779 . . . . 0.0 109.263 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.4 Cg_endo -75.0 -36.11 2.74 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.507 1.793 . . . . 0.0 111.004 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 20' ' ' PRO . 2.5 t70 -37.99 -48.86 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -100.98 -44.76 5.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.118 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.33 83.69 0.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.518 1.136 . . . . 0.0 110.975 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.598 HG21 ' CD2' ' A' ' 33' ' ' LEU . 98.9 t -133.92 148.92 30.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.497 0.763 . . . . 0.0 109.275 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -92.97 163.59 24.93 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.26 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.433 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.4 Cg_endo -75.0 145.06 31.0 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.494 1.786 . . . . 0.0 110.984 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.38 12.27 61.56 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 56.8 m -91.72 164.23 13.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 0.781 . . . . 0.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.5 p -112.94 138.82 49.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.976 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.588 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 37.4 t80 -45.17 -52.95 8.74 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.44 -31.08 9.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -69.16 -32.86 72.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.598 ' CD2' HG21 ' A' ' 24' ' ' VAL . 63.2 mt -47.51 157.33 0.57 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.45 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.05 166.44 29.13 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.465 1.771 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.22 -31.2 62.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.61 2.37 14.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.45 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 16.3 t90 -85.33 138.0 32.59 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.886 HG12 ' HA ' ' A' ' 45' ' ' PRO . 15.7 m -151.07 151.07 12.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.319 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.6 t -43.26 103.23 0.31 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 108.281 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.0 54.4 3.63 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.503 1.791 . . . . 0.0 110.996 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.6 t -145.79 -45.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 14.0 p -116.83 -49.31 2.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 108.316 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.574 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 138.35 -36.62 1.89 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.574 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -25.86 142.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.296 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.886 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.2 Cg_endo -74.98 156.9 43.12 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -57.99 -19.14 28.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.318 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.8 -12.66 61.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -105.42 35.18 2.94 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.27 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.466 ' CE1' ' C ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER -124.34 139.36 53.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 111.041 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -141.15 159.67 41.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.289 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.403 ' HB2' ' HD2' ' A' ' 4' ' ' TYR . . . -91.62 105.43 17.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.31 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.46 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.545 0.212 . . . . 0.0 111.026 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 84.39 -168.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.329 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? 63.31 115.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -115.21 -173.57 2.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.651 HG12 ' H ' ' A' ' 7' ' ' THR . 29.8 t -141.71 147.28 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 109.308 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.484 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 0.1 OUTLIER -44.47 -45.83 9.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 108.292 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.651 ' H ' HG12 ' A' ' 5' ' ' VAL . 19.8 m 71.3 36.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.48 HG23 ' SG ' ' A' ' 6' ' ' CYS . 1.9 t -152.56 -45.38 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.467 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 8.5 p -122.8 -49.99 1.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 108.268 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.467 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 133.58 93.57 0.51 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.544 1.152 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.562 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 42.7 t80 -155.3 106.65 2.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.985 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.8 pt-20 -88.87 121.47 31.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.272 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.434 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 27.2 t80 -95.96 141.16 29.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 110.973 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -110.69 110.33 57.45 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.108 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.495 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.2 Cg_endo -75.04 -29.17 8.44 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.508 1.794 . . . . 0.0 111.01 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.86 -5.27 37.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 0.8 OUTLIER -119.53 -57.26 2.0 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.269 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.476 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 118.56 -144.92 18.2 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.565 1.166 . . . . 0.0 111.036 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 24' ' ' VAL . 5.4 t70 -169.41 125.11 0.74 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.57 0.806 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -37.0 2.23 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.59 -50.35 5.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' GLY . 5.9 m-80 -110.94 31.76 5.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 34.54 85.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.052 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' A' ' 19' ' ' ASP . 2.7 t -122.97 158.38 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.498 0.763 . . . . 0.0 109.319 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.405 ' N ' ' CG1' ' A' ' 24' ' ' VAL . 1.6 mtpt -102.62 162.29 20.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.426 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 150.43 38.23 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.48 1.779 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 84.01 -9.67 62.65 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.547 1.154 . . . . 0.0 110.972 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 97.5 m -71.37 136.69 47.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 0.744 . . . . 0.0 110.437 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 p -86.32 147.62 25.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.993 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.586 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 40.8 t80 -51.95 -49.17 63.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.972 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -53.38 -29.27 33.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -70.33 -28.85 65.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.496 ' CD2' HG21 ' A' ' 24' ' ' VAL . 48.4 mt -52.0 157.89 1.96 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.444 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -74.98 164.07 34.12 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.469 1.773 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -72.31 -30.31 64.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -77.18 2.54 15.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.444 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 12.3 t90 -86.67 129.97 34.66 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.578 HG12 ' HA ' ' A' ' 45' ' ' PRO . 27.0 m -150.28 151.68 12.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.445 ' C ' ' O ' ' A' ' 38' ' ' VAL . 5.7 t -38.54 104.87 0.32 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 108.315 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.562 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.98 44.67 1.2 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.482 1.78 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.407 ' H ' ' C ' ' A' ' 39' ' ' CYS . 5.8 t -136.48 -57.87 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 7.2 p -106.94 -40.69 5.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 108.323 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 120.02 18.64 4.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.467 1.105 . . . . 0.0 111.02 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.484 ' CB ' ' SG ' ' A' ' 6' ' ' CYS . . . -62.83 140.23 97.31 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.797 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.578 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.4 Cg_endo -74.98 141.83 27.17 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.473 1.775 . . . . 0.0 110.981 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.531 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -55.41 -16.85 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -21.19 50.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.981 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' O ' ' O ' ' A' ' 6' ' ' CYS . 59.8 mt-10 -97.3 26.83 4.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CG ' ' CZ ' ' A' ' 30' ' ' PHE . 5.3 m-85 -105.8 134.7 48.49 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 51' ' ' ALA . 5.7 tt0 -129.14 147.31 50.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.291 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.413 ' N ' ' HG3' ' A' ' 50' ' ' GLU . . . -74.61 126.94 31.9 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.416 1.073 . . . . 0.0 109.283 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 109.296 179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.405 ' HG3' ' HB2' ' A' ' 16' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.479 0.181 . . . . 0.0 110.978 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.15 148.9 34.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.36 154.06 44.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.596 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -106.19 -170.91 1.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.429 ' O ' ' OG1' ' A' ' 7' ' ' THR . 84.0 t -145.64 147.86 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.505 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 0.7 OUTLIER -46.04 -54.52 8.31 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 108.341 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.439 ' CB ' ' O ' ' A' ' 6' ' ' CYS . 3.7 m 80.1 29.63 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.427 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.403 ' HB ' ' SG ' ' A' ' 6' ' ' CYS . 2.5 t -146.35 -44.81 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 9.8 p -122.73 -49.86 1.98 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 108.275 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.458 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 132.98 100.31 0.74 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.49 1.118 . . . . 0.0 110.969 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.536 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 61.8 t80 -162.65 111.04 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 111.032 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.03 122.23 33.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.513 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 26.2 t80 -96.0 139.74 31.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 110.983 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -108.41 113.21 60.48 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 27' ' ' GLY . 18.1 Cg_endo -75.04 -32.03 5.66 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.48 1.779 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.405 ' HB2' ' HG3' ' A' ' 1' ' ' MET . . . -69.23 -13.44 62.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -110.3 -55.27 2.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.517 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 117.65 -132.0 9.67 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 24' ' ' VAL . 1.0 OUTLIER -179.95 121.91 0.22 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.476 0.75 . . . . 0.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -37.04 2.24 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.473 1.775 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -41.17 -49.33 3.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 23' ' ' GLY . 5.4 m-80 -115.71 35.11 4.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.432 ' O ' ' O ' ' A' ' 22' ' ' ASN . . . 35.24 93.11 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.517 HG12 ' CA ' ' A' ' 18' ' ' GLY . 14.9 t -132.08 146.95 32.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 0.773 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.96 161.1 32.37 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 145.75 32.01 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.538 1.81 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . 92.49 -19.04 53.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.46 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 51.7 m -59.58 150.23 27.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.405 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.7 150.55 25.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.953 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.68 ' CD1' HD12 ' A' ' 33' ' ' LEU . 10.9 t80 -61.29 -34.12 74.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -63.27 -14.82 53.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.283 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.65 -27.33 14.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.68 HD12 ' CD1' ' A' ' 30' ' ' PHE . 31.6 mt -46.55 153.36 0.77 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.435 ' O ' ' HB3' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -74.99 137.68 22.06 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.475 1.776 . . . . 0.0 111.031 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -49.59 -39.48 35.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.06 -28.34 67.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.582 ' O ' HG13 ' A' ' 38' ' ' VAL . 27.4 t90 -55.38 139.83 41.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.034 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.623 HG12 ' HA ' ' A' ' 45' ' ' PRO . 29.3 m -158.27 149.56 8.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.479 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 5.1 t -38.75 104.37 0.31 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.153 . . . . 0.0 108.3 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.536 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.05 42.52 0.86 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.445 HG21 ' CD1' ' A' ' 11' ' ' TYR . 3.5 t -133.42 -53.61 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.6 p -112.41 -38.26 4.72 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 108.296 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.95 15.88 5.08 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.508 1.13 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.505 ' CB ' ' SG ' ' A' ' 6' ' ' CYS . . . -59.91 139.0 90.64 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.434 0.726 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.623 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.03 142.69 28.07 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.556 ' HB2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -56.19 -16.63 5.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.56 -21.99 47.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.977 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.433 ' O ' ' O ' ' A' ' 6' ' ' CYS . 93.0 mt-10 -97.0 23.22 7.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 3.1 m-85 -104.94 134.3 48.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 111.012 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -124.52 146.66 48.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.292 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.88 118.35 22.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.364 179.939 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.494 ' O ' ' CB ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.471 0.176 . . . . 0.0 110.967 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.494 ' CB ' ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER 87.25 -149.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.344 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? 63.3 117.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.257 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.611 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -103.53 -172.37 2.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.569 HG22 ' HA2' ' A' ' 10' ' ' GLY . 2.6 p -148.69 156.49 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.306 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.492 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 1.6 t -83.93 140.86 31.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 108.27 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 82.6 p -94.37 40.63 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.405 HG23 ' SG ' ' A' ' 6' ' ' CYS . 2.2 t -145.44 -43.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.445 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 13.8 p -128.24 -50.42 1.31 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 0.0 108.291 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.569 ' HA2' HG22 ' A' ' 5' ' ' VAL . . . 136.36 -93.6 0.23 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.416 1.073 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.749 ' CG ' HG21 ' A' ' 41' ' ' VAL . 55.9 t80 35.22 92.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 0.755 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' HA ' ' O ' ' A' ' 4' ' ' TYR . 0.8 OUTLIER -69.5 128.5 36.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 110.3 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.658 ' CE1' HD11 ' A' ' 33' ' ' LEU . 40.5 t80 -86.46 145.89 26.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -111.98 108.88 55.2 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.1 Cg_endo -75.02 -31.61 6.04 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.448 1.762 . . . . 0.0 110.966 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.84 -7.14 51.09 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 22.3 tp10 -110.0 -57.64 2.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.334 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 123.47 -133.38 8.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.485 1.116 . . . . 0.0 111.002 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.453 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -176.08 108.98 0.25 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.482 0.754 . . . . 0.0 109.322 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -74.99 -37.31 2.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.494 1.786 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' PRO . 2.8 t70 -38.84 -46.41 1.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -104.45 -30.27 10.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.257 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.11 89.09 2.09 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.535 HG21 ' CD2' ' A' ' 33' ' ' LEU . 42.4 t -135.9 159.1 39.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.466 0.745 . . . . 0.0 109.318 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.37 160.94 25.63 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.41 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.04 145.47 31.34 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.549 1.815 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.63 9.24 64.75 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 72.0 m -91.3 155.53 18.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 0.788 . . . . 0.0 110.368 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -104.64 146.63 28.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.611 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 28.0 t80 -46.91 -53.45 12.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.128 . . . . 0.0 110.958 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -45.71 -33.4 2.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.417 ' HB3' HG22 ' A' ' 28' ' ' THR . 10.8 t70 -65.59 -42.49 91.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.255 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.681 HD13 ' CE2' ' A' ' 37' ' ' TRP . 98.8 mt -39.76 150.27 0.25 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.0 177.77 8.15 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.488 1.783 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.418 ' C ' ' N ' ' A' ' 37' ' ' TRP . . . -75.14 -59.56 2.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.565 1.165 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -46.01 -24.86 0.47 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.681 ' CE2' HD13 ' A' ' 33' ' ' LEU . 18.8 t90 -58.37 140.55 53.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 108.028 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.725 HG12 ' HA ' ' A' ' 45' ' ' PRO . 9.8 m -159.17 156.19 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.2 t -40.95 104.19 0.33 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 108.323 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.52 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.1 Cg_endo -75.05 49.45 2.27 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.749 HG21 ' CG ' ' A' ' 11' ' ' TYR . 96.2 t -144.22 -59.11 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.603 ' SG ' ' HB2' ' A' ' 44' ' ' ALA . 1.9 p -107.36 -21.77 12.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 108.343 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 103.2 -0.15 47.44 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.492 1.12 . . . . 0.0 110.994 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.603 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -47.41 142.5 6.01 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.725 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.4 Cg_endo -74.94 148.47 35.6 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.508 1.794 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 5.2 ptmm? -52.73 -20.42 3.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 83.7 p -75.39 -12.12 60.19 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -101.91 31.84 3.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.273 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.448 ' CD1' ' C ' ' A' ' 5' ' ' VAL . 0.7 OUTLIER -126.35 135.72 51.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -148.26 142.78 26.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.21 120.65 11.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.307 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.498 0.19 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -77.11 -169.78 1.46 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 109.253 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.6 mmmt 68.83 116.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -117.2 -171.62 2.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' ' 7' ' ' THR . 95.7 t -150.26 144.32 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.348 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 49' ' ' PHE . 1.7 t -41.34 -44.88 2.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 108.307 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.521 ' H ' HG12 ' A' ' 5' ' ' VAL . 33.5 m 70.71 27.2 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 6' ' ' CYS . 2.3 t -143.3 -45.59 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.56 1.163 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.473 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 5.1 p -123.4 -50.08 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 108.293 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.473 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 133.96 106.24 0.92 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.558 1.161 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.808 ' CD1' HG21 ' A' ' 41' ' ' VAL . 33.0 t80 -169.63 104.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 0.783 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -82.41 117.84 22.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.408 ' CD2' ' HD2' ' A' ' 30' ' ' PHE . 22.2 t80 -94.65 133.11 38.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.029 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.38 113.01 62.66 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.507 ' HG3' ' CE1' ' A' ' 4' ' ' TYR . 18.4 Cg_endo -74.97 -32.53 5.36 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.512 1.796 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.98 -11.23 60.49 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' O ' ' CA ' ' A' ' 26' ' ' PRO . 48.7 tp10 -106.33 -57.45 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.103 . . . . 0.0 110.249 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.456 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 119.28 -136.23 11.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.535 1.147 . . . . 0.0 111.01 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 24' ' ' VAL . 4.4 t0 179.58 121.0 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -36.56 2.51 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.496 1.787 . . . . 0.0 111.023 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -41.69 -51.25 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' GLY . 5.1 m-80 -110.19 33.8 4.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' ASN . . . 37.46 92.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.476 ' N ' ' O ' ' A' ' 19' ' ' ASP . 14.3 t -134.74 157.84 41.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.546 0.792 . . . . 0.0 109.336 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 11.1 pttt -109.19 159.9 29.54 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' CA ' ' O ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -74.98 147.54 34.16 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.448 1.762 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.97 6.45 67.03 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 29' ' ' SER . 77.5 m -87.79 173.27 9.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 0.789 . . . . 0.0 110.336 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.512 ' N ' HG22 ' A' ' 28' ' ' THR . 0.7 OUTLIER -129.09 152.02 49.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 110.018 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.668 ' CD2' HD12 ' A' ' 33' ' ' LEU . 10.9 t80 -67.33 -23.26 65.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -74.8 -12.16 60.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.56 -4.82 17.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.668 HD12 ' CD2' ' A' ' 30' ' ' PHE . 16.4 mt -59.95 163.27 7.98 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HG2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.0 166.82 28.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.486 1.782 . . . . 0.0 110.972 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.15 14.72 8.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.23 7.04 7.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.414 ' HB2' ' HG2' ' A' ' 34' ' ' PRO . 28.9 t90 -84.98 135.93 33.82 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.467 ' O ' ' C ' ' A' ' 39' ' ' CYS . 28.2 m -150.86 145.19 16.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.12 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.48 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 4.5 t -37.34 104.94 0.29 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 108.289 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.512 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.01 46.52 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.808 HG21 ' CD1' ' A' ' 11' ' ' TYR . 9.6 t -138.62 -52.63 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.2 p -112.25 -41.08 3.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 108.282 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 122.05 17.53 3.7 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.515 1.134 . . . . 0.0 111.024 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.517 ' CB ' ' SG ' ' A' ' 6' ' ' CYS . . . -61.81 140.09 95.48 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.459 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.4 Cg_endo -74.98 142.54 28.05 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.516 1.798 . . . . 0.0 111.026 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.517 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -54.21 -18.41 3.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.99 -22.49 53.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.132 . . . . 0.0 109.989 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.49 ' O ' ' O ' ' A' ' 6' ' ' CYS . 50.9 mt-10 -95.67 25.48 4.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.271 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.572 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 3.3 m-85 -110.47 135.17 51.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.957 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.4 pt-20 -130.37 149.39 52.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.409 ' HB2' ' HD2' ' A' ' 4' ' ' TYR . . . -86.09 110.84 19.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 -179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mtt . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.521 0.201 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.453 ' HA ' ' CE ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -158.66 -165.91 1.77 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt 69.45 121.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.578 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -113.39 -171.03 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.991 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 4' ' ' TYR . 49.2 t -157.45 159.38 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.465 ' O ' ' HA2' ' A' ' 10' ' ' GLY . 2.1 t -87.0 138.31 31.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.292 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.6 p -77.44 -34.63 54.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.415 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.449 ' CG2' ' OE1' ' A' ' 48' ' ' GLU . 21.8 t -65.0 -83.4 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.512 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 9.2 p -88.48 -53.43 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 108.319 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.512 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 101.34 98.89 2.36 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.602 ' CG ' HG21 ' A' ' 41' ' ' VAL . 17.0 t80 -132.81 83.47 2.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 0.753 . . . . 0.0 110.963 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' TYR . 45.5 tt0 -35.61 118.51 0.49 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.472 ' CE1' HD11 ' A' ' 33' ' ' LEU . 36.2 t80 -89.91 145.45 25.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 111.007 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' HB2' ' CB ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -108.25 105.86 57.44 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.431 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -75.0 -33.16 4.79 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.543 1.812 . . . . 0.0 111.009 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.47 -12.82 60.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' CB ' ' HB2' ' A' ' 14' ' ' ASP . 1.1 tp10 -103.54 -56.66 2.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.321 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.23 -133.4 9.57 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.511 1.132 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.443 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.5 OUTLIER -176.9 108.85 0.23 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 0.764 . . . . 0.0 109.284 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.2 Cg_endo -75.04 -36.58 2.44 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.507 1.793 . . . . 0.0 110.978 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 20' ' ' PRO . 2.4 t70 -37.78 -44.78 0.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -107.16 -37.17 6.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.26 87.17 1.5 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.467 1.104 . . . . 0.0 110.97 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.551 HG21 ' CD2' ' A' ' 33' ' ' LEU . 53.7 t -137.01 142.91 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -86.8 161.99 45.82 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.3 Cg_endo -74.98 142.86 28.43 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.507 1.793 . . . . 0.0 111.047 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.73 -9.5 58.6 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.504 1.127 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.431 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 92.2 m -74.9 159.39 31.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 0.74 . . . . 0.0 110.405 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 52.2 p -113.66 140.96 47.79 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.742 ' CD2' HD12 ' A' ' 33' ' ' LEU . 29.9 t80 -56.97 -15.88 5.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -79.81 -2.61 44.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 109.36 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.83 -13.85 12.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.742 HD12 ' CD2' ' A' ' 30' ' ' PHE . 20.4 mt -54.12 151.55 12.69 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -74.99 137.76 22.16 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.551 1.816 . . . . 0.0 111.0 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.89 -44.12 19.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.411 ' O ' HG13 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -55.17 -33.31 62.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.324 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.582 ' CH2' ' HD3' ' A' ' 40' ' ' PRO . 18.2 t90 -54.47 139.63 36.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.861 HG12 ' HA ' ' A' ' 45' ' ' PRO . 20.7 m -148.59 150.69 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' ALA . 7.6 t -39.95 104.76 0.34 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 108.325 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.582 ' HD3' ' CH2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -75.02 53.81 3.46 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.482 1.78 . . . . 0.0 111.008 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.602 HG21 ' CG ' ' A' ' 11' ' ' TYR . 46.4 t -147.24 -52.26 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.422 ' SG ' ' HB2' ' A' ' 44' ' ' ALA . 10.3 p -110.75 -37.18 5.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 113.63 20.62 6.07 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.552 1.158 . . . . 0.0 110.979 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 39' ' ' CYS . . . -73.44 140.82 79.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.439 0.729 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.861 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.03 136.35 20.22 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.514 1.797 . . . . 0.0 111.018 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -47.67 -24.19 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.34 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.411 ' N ' ' C ' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -59.15 -21.67 59.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 0.0 109.996 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' OE1' ' CG2' ' A' ' 8' ' ' VAL . 49.5 mt-10 -89.62 -50.03 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.457 ' CD2' ' CZ ' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -35.31 136.5 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 110.983 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -134.27 157.43 46.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.448 ' HB2' ' HD2' ' A' ' 4' ' ' TYR . . . -92.65 110.29 21.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.521 0.2 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.58 148.81 14.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.46 155.87 26.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.464 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -120.05 -176.17 3.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 111.004 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.3 t -152.96 154.12 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.323 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.481 ' SG ' ' CB ' ' A' ' 44' ' ' ALA . 9.6 t -70.93 162.14 29.84 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 108.302 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.426 ' N ' ' SG ' ' A' ' 6' ' ' CYS . 1.1 p -86.9 -76.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.483 ' CG2' ' SG ' ' A' ' 42' ' ' CYS . 23.2 m -38.89 -47.92 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.344 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.401 ' N ' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -122.62 178.7 4.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 108.315 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 11' ' ' TYR . . . -85.15 -109.0 0.67 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.466 1.104 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.791 ' CD1' HG21 ' A' ' 41' ' ' VAL . 52.1 t80 55.56 114.99 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.764 . . . . 0.0 110.959 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.8 pt-20 -98.92 136.86 38.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.71 ' CE1' HD11 ' A' ' 33' ' ' LEU . 67.5 t80 -90.25 134.34 34.36 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 111.004 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.444 ' HB3' ' CB ' ' A' ' 17' ' ' GLU . 0.2 OUTLIER -106.58 108.03 61.16 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.464 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.97 -33.75 4.38 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.87 -9.85 59.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.444 ' CB ' ' HB3' ' A' ' 14' ' ' ASP . 4.6 tp10 -109.13 -56.84 2.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 1.143 . . . . 0.0 110.269 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.38 -131.6 9.66 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.475 1.109 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 24' ' ' VAL . 1.3 t70 -179.52 122.72 0.23 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -37.65 1.95 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.528 1.804 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -44.04 -53.47 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 23' ' ' GLY . 8.7 m-80 -105.81 31.25 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 35.28 91.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.502 ' N ' ' O ' ' A' ' 19' ' ' ASP . 82.8 t -133.3 147.24 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 0.763 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 pttm -92.56 160.22 35.03 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.64 34.28 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.496 1.787 . . . . 0.0 111.031 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.91 4.47 69.31 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.551 1.157 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.464 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 84.6 m -82.22 158.85 23.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 0.721 . . . . 0.0 110.379 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 6.6 p -110.82 136.96 49.08 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 110.022 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CD2' HD12 ' A' ' 33' ' ' LEU . 13.9 t80 -56.18 -26.11 49.43 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.418 1.074 . . . . 0.0 111.023 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -74.01 -3.67 30.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.41 7.61 16.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.71 HD11 ' CE1' ' A' ' 13' ' ' TYR . 17.0 mt -71.38 154.19 93.66 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.404 ' HG2' ' HB2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -75.06 156.26 42.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.489 1.784 . . . . 0.0 111.01 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.09 -24.15 65.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.41 5.67 22.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.722 ' O ' HG13 ' A' ' 38' ' ' VAL . 26.0 t90 -91.48 146.1 24.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 108.015 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.907 HG12 ' HA ' ' A' ' 45' ' ' PRO . 4.8 m -160.39 152.74 4.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.529 ' HB3' ' HB3' ' A' ' 44' ' ' ALA . 6.2 t -40.26 102.73 0.27 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 108.295 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.587 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.02 50.58 2.57 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.543 1.812 . . . . 0.0 111.026 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.791 HG21 ' CD1' ' A' ' 11' ' ' TYR . 80.3 t -144.31 -53.88 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.633 ' SG ' ' HB2' ' A' ' 44' ' ' ALA . 1.8 p -113.57 -16.49 12.36 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 108.333 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 100.38 -7.6 58.3 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.451 1.094 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.633 ' HB2' ' SG ' ' A' ' 42' ' ' CYS . . . -42.15 142.02 1.28 Allowed Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.907 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.4 Cg_endo -75.02 153.79 41.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.479 1.778 . . . . 0.0 111.018 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.34 -23.38 15.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.03 -5.23 47.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.439 ' HG3' ' HG2' ' A' ' 45' ' ' PRO . 4.1 mt-10 -104.57 29.22 6.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -120.12 133.97 55.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 110.972 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 51' ' ' ALA . 7.6 tt0 -139.0 147.66 42.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.335 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.407 ' N ' ' HG3' ' A' ' 50' ' ' GLU . . . -80.22 113.33 18.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.321 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.657 ' HG2' ' HB2' ' A' ' 51' ' ' ALA . 1.5 ptm . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.486 0.184 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.489 ' O ' ' CD2' ' A' ' 4' ' ' TYR . 1.8 mtmt 67.12 179.88 0.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.486 ' C ' ' O ' ' A' ' 2' ' ' LYS . 2.9 mmtt -33.47 127.79 0.34 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.525 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -117.55 -173.86 2.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -153.4 147.16 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.654 ' O ' HG22 ' A' ' 7' ' ' THR . 6.1 t -43.88 -54.27 5.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.102 . . . . 0.0 108.27 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.654 HG22 ' O ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER 80.4 14.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.42 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.488 HG23 ' SG ' ' A' ' 6' ' ' CYS . 1.9 t -130.22 -43.71 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.466 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 7.3 p -122.77 -49.86 1.98 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 108.327 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.466 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 127.28 99.01 1.03 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.507 1.129 . . . . 0.0 110.974 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.569 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 73.4 t80 -162.79 88.2 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 111.009 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -66.33 130.96 44.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.708 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 37.8 t80 -93.17 145.45 24.41 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.987 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -112.29 104.79 56.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -75.0 -33.26 4.7 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.497 1.788 . . . . 0.0 110.988 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.22 -10.3 59.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 2.1 tp10 -111.56 -56.37 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.297 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.1 -138.18 12.85 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.422 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -172.7 109.71 0.35 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.331 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.446 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.4 Cg_endo -75.0 -36.57 2.47 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 111.009 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.446 ' C ' ' O ' ' A' ' 20' ' ' PRO . 3.4 t70 -37.06 -46.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -104.09 -46.34 4.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.559 1.162 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 125.66 80.97 0.41 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.576 HG21 ' CD2' ' A' ' 33' ' ' LEU . 39.5 t -131.66 144.81 36.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.94 165.2 22.7 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.321 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.405 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.91 144.88 31.12 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.497 1.788 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.31 -13.71 66.77 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.517 1.136 . . . . 0.0 111.039 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.445 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 22.9 m -62.7 160.63 13.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.574 0.809 . . . . 0.0 110.42 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 4.0 p -114.37 145.89 41.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.591 ' CZ ' ' HB2' ' A' ' 46' ' ' LYS . 19.1 t80 -60.52 -18.8 54.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -78.6 -21.71 48.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.21 5.15 46.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.708 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 15.9 mt -74.41 153.71 87.91 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.41 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.01 160.0 40.65 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.3 -29.02 61.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 109.327 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -84.4 11.72 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.475 ' CZ3' ' CE2' ' A' ' 30' ' ' PHE . 88.8 t90 -77.86 -55.46 5.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.755 HG12 ' HA ' ' A' ' 45' ' ' PRO . 35.6 m 42.69 -165.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.3 t -97.4 110.75 56.03 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.127 . . . . 0.0 108.334 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.569 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -74.96 48.66 2.04 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.496 1.787 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.491 HG21 ' CD1' ' A' ' 11' ' ' TYR . 3.1 t -143.77 -57.79 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.424 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 14.5 p -106.45 -49.93 3.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 108.317 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.594 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 141.62 -38.32 1.52 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.594 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -24.57 136.27 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.51 0.77 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.755 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.4 Cg_endo -74.96 158.12 42.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.468 1.773 . . . . 0.0 111.037 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.9 OUTLIER -59.15 -18.76 38.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.158 . . . . 0.0 109.328 179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.16 -14.93 60.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.538 ' O ' HG22 ' A' ' 7' ' ' THR . 6.3 mt-10 -100.76 31.09 3.67 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.563 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 5.4 m-85 -113.66 146.22 40.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 111.047 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -153.44 144.49 22.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 110.316 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.657 ' HB2' ' HG2' ' A' ' 1' ' ' MET . . . -56.92 122.24 11.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.8 mtt . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.498 0.19 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.571 ' HG3' ' CE2' ' A' ' 4' ' ' TYR . 0.9 OUTLIER -144.85 116.31 8.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.222 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.434 ' HZ2' ' HB3' ' A' ' 3' ' ' LYS . 1.8 mmmp? -91.52 124.31 35.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.335 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.571 ' CE2' ' HG3' ' A' ' 2' ' ' LYS . 0.3 OUTLIER -103.1 -169.01 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 110.994 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.2 t -161.23 156.68 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 4.5 t -83.15 147.89 27.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.303 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 48' ' ' GLU . 38.2 p -78.99 -56.99 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.428 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.499 HG21 ' HB2' ' A' ' 44' ' ' ALA . 45.6 t -48.52 -73.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.281 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.8 p -97.73 -167.12 1.47 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 108.326 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -118.25 91.87 0.53 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.624 ' CG ' HG21 ' A' ' 41' ' ' VAL . 10.1 t80 -139.74 115.92 10.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 0.774 . . . . 0.0 111.015 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -92.1 131.18 37.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.541 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 24.1 t80 -93.28 143.09 26.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.44 105.83 55.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.459 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.98 -28.45 9.2 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.44 1.758 . . . . 0.0 111.0 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.59 -6.03 46.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 6.3 tp10 -119.05 -50.11 2.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.458 ' HA2' HG12 ' A' ' 24' ' ' VAL . . . 115.13 -141.21 16.88 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 0.0 111.043 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.42 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 19.7 t70 -168.09 108.83 0.56 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.539 0.788 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.5 Cg_endo -74.94 -36.31 2.68 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.5 1.79 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 20' ' ' PRO . 4.2 t70 -36.8 -43.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -107.83 -48.47 3.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.3 81.2 0.27 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.689 HG21 ' CD2' ' A' ' 33' ' ' LEU . 19.5 t -131.57 138.79 52.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 0.789 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.2 mtmm -83.1 163.16 52.0 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.113 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.424 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.4 Cg_endo -74.97 146.6 32.97 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.41 -11.34 70.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.459 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 95.7 m -67.46 157.13 34.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 0.766 . . . . 0.0 110.385 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 p -106.42 159.15 16.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.651 ' CE2' ' CZ3' ' A' ' 37' ' ' TRP . 14.5 t80 -69.79 -16.72 63.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 110.979 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.73 -22.5 50.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.97 13.22 31.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.689 ' CD2' HG21 ' A' ' 24' ' ' VAL . 28.1 mt -83.32 152.78 65.09 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.472 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.4 Cg_endo -74.94 169.59 22.28 Favored 'Trans proline' 0 C--N 1.359 1.132 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -80.67 -31.27 36.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 59.6 p30 -85.7 16.2 4.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.651 ' CZ3' ' CE2' ' A' ' 30' ' ' PHE . 81.4 t90 -77.88 -53.03 7.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 107.996 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.734 HG12 ' HA ' ' A' ' 45' ' ' PRO . 30.9 m 43.37 -162.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.337 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 44' ' ' ALA . 8.7 t -101.7 107.82 53.3 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 108.314 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.507 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.4 Cg_endo -75.01 46.21 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.514 1.797 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.624 HG21 ' CG ' ' A' ' 11' ' ' TYR . 12.8 t -140.05 -47.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.431 1.082 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.3 p -119.67 -45.78 2.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 108.33 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.563 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 139.57 -37.01 1.78 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.532 1.145 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.563 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -27.0 139.87 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.734 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.95 163.54 35.21 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.517 1.799 . . . . 0.0 110.991 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.569 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -61.83 -18.72 61.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.6 -8.8 57.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.533 ' O ' HG23 ' A' ' 7' ' ' THR . 28.7 mt-10 -107.96 35.39 3.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.404 ' HB2' ' O ' ' A' ' 46' ' ' LYS . 1.8 m-85 -116.81 137.21 52.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.981 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -131.58 152.86 50.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.52 114.12 20.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.496 0.189 . . . . 0.0 110.97 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.35 138.61 0.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.12 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.419 ' N ' ' HE3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -124.74 153.84 41.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -109.64 -169.85 1.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.961 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 11' ' ' TYR . 53.0 t -152.61 135.95 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.0 t -65.6 138.81 58.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 108.286 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 8' ' ' VAL . 67.2 p -78.45 -55.74 4.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.538 1.149 . . . . 0.0 110.37 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.702 HG21 ' HB2' ' A' ' 44' ' ' ALA . 72.2 t -39.69 -72.64 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 1.8 p -97.52 -155.48 0.49 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 0.0 108.278 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.485 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -121.72 65.8 0.48 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.592 ' CD1' HG11 ' A' ' 41' ' ' VAL . 32.0 t80 -111.31 156.84 20.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.544 0.79 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.2 pt-20 -136.37 134.08 37.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 110.303 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.864 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 43.8 t80 -108.64 150.48 27.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.48 114.23 33.16 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.271 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -32.38 5.42 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.527 1.804 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.83 -4.98 41.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.419 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 3.8 tp10 -114.2 -56.56 2.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.03 -134.49 10.2 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.437 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -176.23 108.55 0.25 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.493 0.761 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -74.96 -33.43 4.64 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.536 1.808 . . . . 0.0 110.971 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' PRO . 1.2 t70 -37.54 -47.98 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -105.48 -36.68 7.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.76 87.96 1.44 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.437 ' HB ' ' N ' ' A' ' 19' ' ' ASP . 38.5 t -134.08 156.44 40.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 0.0 109.279 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 mtmm -98.72 160.3 28.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.419 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.2 Cg_endo -75.03 146.03 32.06 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.524 1.802 . . . . 0.0 110.99 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.45 -11.17 72.02 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.552 1.157 . . . . 0.0 111.033 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 54.9 m -65.86 159.17 26.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 110.439 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.5 p -111.55 146.73 36.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.985 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.598 ' CD2' HD12 ' A' ' 33' ' ' LEU . 21.7 t80 -60.07 -32.05 70.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -62.55 -14.13 38.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.66 -28.75 13.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.251 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.864 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 22.2 mt -46.7 149.17 1.53 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.443 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -74.99 170.79 19.64 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.524 1.802 . . . . 0.0 110.989 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -79.28 -42.47 25.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.78 -4.59 12.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.61 ' CE3' ' O ' ' A' ' 38' ' ' VAL . 90.4 t90 -61.99 -52.92 62.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.869 HG12 ' HA ' ' A' ' 45' ' ' PRO . 27.0 m 41.83 -160.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.702 ' SG ' HG13 ' A' ' 41' ' ' VAL . 12.4 t -103.83 106.36 52.34 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 108.275 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.612 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.3 Cg_endo -74.97 60.7 5.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.499 1.789 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.702 HG13 ' SG ' ' A' ' 39' ' ' CYS . 1.9 m -160.87 -41.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 11.6 p -120.44 -46.46 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 108.305 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.58 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 134.64 -41.39 1.46 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 110.969 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.702 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . -25.64 138.35 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.769 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.869 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.03 164.55 33.08 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.581 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 9.9 pttm -62.34 -20.1 64.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.6 t -72.91 -9.06 58.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.546 1.154 . . . . 0.0 109.997 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 31.2 mt-10 -107.2 35.19 3.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.306 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -119.19 133.45 55.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -129.2 142.3 50.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.7 131.53 50.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.953 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 CA-C-O 120.466 0.174 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.44 175.66 9.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.92 145.62 47.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -114.58 -170.73 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 4' ' ' TYR . 69.9 t -158.37 137.2 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.3 t -61.13 135.69 57.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.139 . . . . 0.0 108.297 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.573 HG21 ' HB2' ' A' ' 50' ' ' GLU . 66.1 p -100.93 41.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.4 t -140.53 -45.05 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.469 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 8.4 p -123.12 -50.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 108.239 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.469 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 114.22 95.03 2.08 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.529 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 6.3 t80 -145.65 96.62 2.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 0.754 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -62.35 120.9 11.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.85 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 27.9 t80 -92.39 147.93 22.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.89 104.32 51.11 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.507 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -74.96 -32.11 5.71 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.12 -4.73 40.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.301 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 15.8 tp10 -116.57 -57.03 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.313 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.556 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 116.61 -135.79 12.29 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.544 1.153 . . . . 0.0 111.033 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 24' ' ' VAL . 0.6 OUTLIER 178.32 121.95 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.485 0.756 . . . . 0.0 109.3 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -75.02 -34.69 3.61 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.542 1.811 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' PRO . 4.1 t70 -38.47 -51.07 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 109.26 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.503 ' ND2' ' CD1' ' A' ' 37' ' ' TRP . 0.3 OUTLIER -117.69 39.05 3.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' A' ' 22' ' ' ASN . . . 36.7 94.09 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.556 HG12 ' CA ' ' A' ' 18' ' ' GLY . 14.3 t -133.52 146.8 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -96.59 157.96 34.47 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.411 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.03 150.36 37.9 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 111.002 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.11 -11.57 70.47 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.448 1.093 . . . . 0.0 111.001 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.507 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 76.6 m -70.39 136.78 49.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 0.79 . . . . 0.0 110.355 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 57.7 p -90.21 148.58 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.039 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.583 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 15.0 t80 -61.33 -25.26 67.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.89 -10.17 59.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.16 -16.98 14.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.85 HD11 ' CZ ' ' A' ' 13' ' ' TYR . 13.5 mt -54.86 157.09 5.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.1 Cg_endo -75.04 163.75 34.63 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.518 1.799 . . . . 0.0 110.963 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -76.09 -30.34 58.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -84.1 12.72 5.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.649 ' CE2' HD13 ' A' ' 33' ' ' LEU . 86.6 t90 -77.9 -51.77 9.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 107.972 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.895 HG12 ' HA ' ' A' ' 45' ' ' PRO . 28.7 m 43.04 -165.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.49 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 10.8 t -98.41 108.55 48.29 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 108.275 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.529 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.04 47.02 1.65 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.462 1.769 . . . . 0.0 111.016 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.49 ' HB ' ' SG ' ' A' ' 39' ' ' CYS . 61.3 t -140.89 -45.83 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.403 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 15.1 p -118.71 -48.36 2.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 108.305 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.545 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 140.16 -36.98 1.75 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.545 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -28.41 142.35 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 0.756 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.895 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.97 163.28 35.71 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.537 1.809 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.563 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -62.38 -17.91 60.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.73 -8.94 57.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.031 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.419 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 22.5 mt-10 -107.12 34.51 3.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.33 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 46' ' ' LYS . 11.0 m-85 -117.09 129.62 56.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 110.965 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.573 ' HB2' HG21 ' A' ' 7' ' ' THR . 0.2 OUTLIER -112.36 156.21 22.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.83 106.91 18.8 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.367 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.923 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.547 0.213 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.584 ' O ' ' CE1' ' A' ' 4' ' ' TYR . 0.3 OUTLIER -136.65 149.92 48.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 13' ' ' TYR . 3.3 mptt -84.13 121.3 27.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.356 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.584 ' CE1' ' O ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -103.84 -167.23 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 11' ' ' TYR . 3.6 p -151.22 161.95 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 8.3 t -92.97 141.92 27.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 108.302 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.768 HG23 ' O ' ' A' ' 48' ' ' GLU . 64.6 p -71.7 -64.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.372 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.779 HG21 ' HB2' ' A' ' 44' ' ' ALA . 61.1 t -37.82 -70.15 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.48 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 2.1 p -99.06 -155.48 0.5 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.552 1.157 . . . . 0.0 108.294 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.48 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . -130.96 66.67 0.58 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.489 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 10.4 t80 -110.1 124.2 51.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 0.739 . . . . 0.0 111.052 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -99.7 126.29 45.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 110.29 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.533 ' CZ ' HD11 ' A' ' 33' ' ' LEU . 25.8 t80 -94.89 143.98 26.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.21 106.0 57.67 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.5 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -74.95 -29.65 8.08 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.543 1.812 . . . . 0.0 111.034 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -76.35 -2.46 31.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 0.5 OUTLIER -118.87 -55.72 2.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.289 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.501 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 120.4 -139.94 14.04 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 24' ' ' VAL . 0.6 OUTLIER -178.57 121.71 0.24 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.522 0.778 . . . . 0.0 109.282 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.2 Cg_endo -75.04 -37.42 2.01 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.526 1.803 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 20' ' ' PRO . 0.5 OUTLIER -40.12 -45.64 2.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.351 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 23' ' ' GLY . 3.6 m-80 -119.25 34.33 5.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 36.39 91.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.54 HG21 ' CD2' ' A' ' 33' ' ' LEU . 14.6 t -132.64 152.16 35.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.509 0.77 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mtpt -100.21 163.76 17.67 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.41 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.5 Cg_endo -74.94 152.71 41.43 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.498 1.788 . . . . 0.0 110.998 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 84.1 -7.1 72.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.509 1.13 . . . . 0.0 111.015 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.5 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 52.3 m -72.98 150.79 42.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 0.769 . . . . 0.0 110.41 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.7 p -104.75 142.91 33.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.989 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.563 ' HB2' ' CE1' ' A' ' 4' ' ' TYR . 47.9 t80 -49.56 -45.57 47.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 111.053 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.86 -25.32 27.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -77.11 -34.69 56.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.543 HD12 ' CD1' ' A' ' 30' ' ' PHE . 96.3 mt -45.11 157.18 0.35 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.453 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.0 165.53 31.12 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.529 1.805 . . . . 0.0 111.03 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -73.38 -30.62 63.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -76.59 1.68 16.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.453 ' HB2' ' HD2' ' A' ' 34' ' ' PRO . 11.5 t90 -85.5 136.75 33.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 107.993 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.873 HG12 ' HA ' ' A' ' 45' ' ' PRO . 28.2 m -152.3 145.73 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.532 ' SG ' HG13 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -37.22 98.42 0.16 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 108.333 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.526 ' O ' HG12 ' A' ' 41' ' ' VAL . 18.2 Cg_endo -75.0 64.4 6.05 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.532 HG13 ' SG ' ' A' ' 39' ' ' CYS . 1.7 m -158.01 -42.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.435 ' SG ' ' N ' ' A' ' 43' ' ' GLY . 0.5 OUTLIER -126.18 -46.97 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.312 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.541 ' O ' ' O ' ' A' ' 44' ' ' ALA . . . 140.9 -127.59 3.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.779 ' HB2' HG21 ' A' ' 8' ' ' VAL . . . 56.88 141.95 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.261 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.873 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -75.0 152.2 40.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.528 1.804 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.516 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -53.99 -17.78 2.92 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.84 -10.87 60.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.475 1.11 . . . . 0.0 109.99 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.768 ' O ' HG23 ' A' ' 7' ' ' THR . 54.2 mt-10 -104.94 34.83 3.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.499 ' CG ' ' CZ ' ' A' ' 30' ' ' PHE . 1.8 m-85 -115.9 135.88 53.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -130.85 159.31 37.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 110.328 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -85.85 121.34 28.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.481 0.181 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.59 154.51 3.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt 42.15 91.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -110.08 -174.62 2.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 111.019 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.416 ' O ' ' CD1' ' A' ' 49' ' ' PHE . 3.2 p -146.04 164.02 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 7.3 t -88.85 142.7 27.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 108.275 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.6 p -101.0 39.94 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.138 . . . . 0.0 110.357 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 t -143.14 -46.17 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 13.9 p -120.63 -50.77 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.286 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.454 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 108.46 80.12 1.21 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.544 ' CG ' HG21 ' A' ' 41' ' ' VAL . 20.1 t80 -125.35 93.31 3.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 0.744 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -56.85 121.2 9.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.283 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -95.41 144.66 25.75 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -111.75 108.32 56.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -32.4 5.41 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.475 1.776 . . . . 0.0 110.986 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.36 -7.67 50.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 4.7 tp10 -111.51 -55.62 2.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.513 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 117.34 -134.86 11.45 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' ' 24' ' ' VAL . 0.4 OUTLIER -178.33 120.34 0.25 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.303 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.88 2.31 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.464 1.77 . . . . 0.0 110.979 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.96 -50.32 5.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 23' ' ' GLY . 6.2 m-80 -111.51 37.07 3.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' ASN . . . 34.65 91.97 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.529 1.143 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.513 HG12 ' CA ' ' A' ' 18' ' ' GLY . 16.6 t -135.13 151.26 30.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.535 0.786 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -101.38 164.14 16.54 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.407 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.3 Cg_endo -75.0 151.49 39.59 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.59 -12.16 66.13 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.466 1.103 . . . . 0.0 110.966 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.437 HG22 ' N ' ' A' ' 29' ' ' SER . 79.4 m -65.1 168.27 6.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 0.767 . . . . 0.0 110.43 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.437 ' N ' HG22 ' A' ' 28' ' ' THR . 0.3 OUTLIER -127.39 143.61 51.18 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 -179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.609 ' CG ' HD12 ' A' ' 33' ' ' LEU . 12.0 t80 -57.5 -32.64 67.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -69.99 -9.29 54.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.261 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -109.54 9.0 25.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.609 HD12 ' CG ' ' A' ' 30' ' ' PHE . 20.1 mt -73.76 164.19 62.94 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.419 ' HG2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.05 167.21 27.51 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.496 1.788 . . . . 0.0 110.987 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -88.13 21.19 2.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -135.51 9.95 3.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.104 . . . . 0.0 109.282 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.577 ' CZ2' ' HD3' ' A' ' 40' ' ' PRO . 11.7 t90 -88.73 141.61 28.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.97 HG12 ' HA ' ' A' ' 45' ' ' PRO . 15.6 m -149.28 151.65 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.413 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 9.3 t -44.02 103.4 0.32 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 108.251 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.577 ' HD3' ' CZ2' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.01 53.94 3.49 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.513 1.797 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.544 HG21 ' CG ' ' A' ' 11' ' ' TYR . 87.0 t -146.5 -51.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.5 p -112.24 -41.3 3.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 108.288 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.561 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 131.88 -30.6 3.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.561 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -27.79 141.95 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.569 0.805 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.97 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.98 157.76 42.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.515 1.797 . . . . 0.0 111.006 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.477 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 2.3 ptmm? -55.67 -26.74 46.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -9.53 52.48 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.01 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' CG ' ' HD2' ' A' ' 45' ' ' PRO . 11.2 mt-10 -103.65 32.84 3.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER -126.87 136.44 52.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 111.017 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -150.85 159.06 44.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.335 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -83.45 120.09 25.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 -179.98 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mtm . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.467 0.175 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER 51.67 178.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.411 ' O ' ' O ' ' A' ' 2' ' ' LYS . 26.0 mmtp 42.27 91.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.262 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.533 ' CE1' ' HB2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -102.25 -169.17 1.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.955 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.446 HG13 ' OG1' ' A' ' 7' ' ' THR . 3.9 p -148.51 143.55 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -41.18 -45.65 2.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 108.294 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.579 HG22 ' O ' ' A' ' 7' ' ' THR . 34.6 m 69.16 37.6 2.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.493 HG23 ' SG ' ' A' ' 6' ' ' CYS . 1.8 t -152.64 -44.03 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.47 ' SG ' ' N ' ' A' ' 10' ' ' GLY . 5.1 p -125.95 -49.99 1.59 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 108.299 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.47 ' N ' ' SG ' ' A' ' 9' ' ' CYS . . . 136.02 104.13 0.73 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.988 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE2' ' HD2' ' A' ' 40' ' ' PRO . 62.9 t80 -168.34 107.94 0.51 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 0.746 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -88.84 123.66 33.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.604 ' CE2' HD11 ' A' ' 33' ' ' LEU . 17.5 t80 -99.18 137.98 36.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.13 114.5 62.4 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.511 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.3 Cg_endo -75.04 -32.84 4.99 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.517 1.798 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -78.49 -7.12 57.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -129.74 23.49 5.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.298 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.661 ' CA ' HG12 ' A' ' 24' ' ' VAL . . . 43.96 -140.55 3.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.453 ' HB2' ' CE2' ' A' ' 13' ' ' TYR . 3.4 t70 177.1 127.42 0.18 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.471 0.748 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.593 ' O ' ' CB ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -74.96 -168.57 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.464 1.771 . . . . 0.0 110.985 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.593 ' CB ' ' O ' ' A' ' 20' ' ' PRO . 3.7 t70 89.52 -35.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -123.24 -39.65 2.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.89 72.23 0.53 Allowed Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.687 HG21 HD21 ' A' ' 33' ' ' LEU . 55.8 t -116.21 126.65 73.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.423 ' HB2' ' HD2' ' A' ' 26' ' ' PRO . 0.0 OUTLIER -83.8 164.28 45.2 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 25' ' ' LYS . 18.3 Cg_endo -74.96 145.49 31.65 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.01 5.41 62.52 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 29.2 m -96.14 144.08 26.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.733 . . . . 0.0 110.416 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -96.99 144.42 26.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' CD2' HD12 ' A' ' 33' ' ' LEU . 14.7 t80 -58.83 -20.5 51.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.73 -8.12 54.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.66 -13.98 15.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.687 HD21 HG21 ' A' ' 24' ' ' VAL . 20.1 mt -54.91 150.68 18.21 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.336 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' TRP . 18.3 Cg_endo -75.0 135.0 18.5 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.505 1.792 . . . . 0.0 111.054 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -43.96 -47.46 8.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -51.91 -37.0 50.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.626 ' O ' HG13 ' A' ' 38' ' ' VAL . 34.0 t90 -49.01 141.21 8.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 107.985 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.865 HG12 ' HA ' ' A' ' 45' ' ' PRO . 11.6 m -158.44 148.03 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.46 ' C ' ' O ' ' A' ' 38' ' ' VAL . 5.9 t -37.67 103.58 0.27 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.122 . . . . 0.0 108.293 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.571 ' HD2' ' CE2' ' A' ' 11' ' ' TYR . 18.3 Cg_endo -75.01 45.83 1.42 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.542 1.812 . . . . 0.0 111.005 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.492 HG21 ' CD1' ' A' ' 11' ' ' TYR . 4.9 t -136.64 -53.92 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 8.2 p -111.15 -36.82 5.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.137 . . . . 0.0 108.297 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.57 17.42 6.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.469 ' HB1' HG21 ' A' ' 8' ' ' VAL . . . -63.44 139.83 97.64 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.454 0.737 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.865 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.3 Cg_endo -74.98 143.67 29.39 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.469 1.773 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -56.45 -17.3 7.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.54 -16.47 58.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.107 . . . . 0.0 109.949 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.456 ' HG3' ' HG2' ' A' ' 45' ' ' PRO . 47.6 mt-10 -101.95 22.36 13.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 6' ' ' CYS . 4.2 m-85 -104.69 134.63 47.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -127.52 147.7 50.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.333 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.498 ' HB2' ' HD2' ' A' ' 4' ' ' TYR . . . -81.78 118.14 22.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.498 0.189 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -55.63 -169.52 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.7 mmmt 59.58 108.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.604 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -108.31 -171.9 1.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.931 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.673 HG13 ' O ' ' A' ' 11' ' ' TYR . 63.2 t -159.26 139.39 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 9' ' ' CYS . 8.4 t -68.47 151.02 47.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 108.31 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 8' ' ' VAL . 23.9 p -83.26 -65.9 0.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.429 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.492 ' CG2' ' OE1' ' A' ' 48' ' ' GLU . 11.5 t -38.97 -52.25 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 6' ' ' CYS . 1.0 OUTLIER -125.76 164.7 20.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 108.318 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.422 ' O ' HG13 ' A' ' 5' ' ' VAL . . . -59.88 -97.01 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.532 1.145 . . . . 0.0 110.977 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.823 ' CD1' HG21 ' A' ' 41' ' ' VAL . 35.6 t80 51.48 174.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 11' ' ' TYR . 9.9 pt-20 -164.76 133.46 3.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.434 ' HD2' ' CD1' ' A' ' 4' ' ' TYR . 17.3 t80 -93.48 145.48 24.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 111.03 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -112.7 106.17 55.58 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.466 ' CB ' ' O ' ' A' ' 28' ' ' THR . 18.4 Cg_endo -75.05 -32.41 5.35 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.38 -4.94 42.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.434 ' C ' ' HA ' ' A' ' 26' ' ' PRO . 3.9 tp10 -117.46 -55.96 2.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.29 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 121.67 -140.42 13.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.444 ' N ' ' HB ' ' A' ' 24' ' ' VAL . 0.9 OUTLIER -173.31 108.87 0.32 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.476 0.75 . . . . 0.0 109.259 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.455 ' O ' ' C ' ' A' ' 21' ' ' ASP . 18.3 Cg_endo -75.02 -34.82 3.51 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.455 ' C ' ' O ' ' A' ' 20' ' ' PRO . 3.1 t70 -36.17 -43.17 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -111.55 -40.96 4.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.09 87.75 0.97 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.502 1.126 . . . . 0.0 111.022 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.444 ' HB ' ' N ' ' A' ' 19' ' ' ASP . 68.8 t -136.39 145.55 30.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.529 0.782 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -89.44 162.64 36.18 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.434 ' HA ' ' C ' ' A' ' 17' ' ' GLU . 18.0 Cg_endo -75.06 147.53 33.81 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.555 1.818 . . . . 0.0 110.952 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.4 -18.38 52.37 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.466 ' O ' ' CB ' ' A' ' 15' ' ' PRO . 95.8 m -62.66 161.3 12.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 0.759 . . . . 0.0 110.431 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.8 p -114.38 143.16 45.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.571 ' CG ' HD12 ' A' ' 33' ' ' LEU . 17.2 t80 -56.32 -20.08 17.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.12 -20.68 55.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.21 16.05 24.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.571 HD12 ' CG ' ' A' ' 30' ' ' PHE . 19.1 mt -77.19 162.82 68.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 37' ' ' TRP . 18.2 Cg_endo -75.01 171.61 17.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.462 1.769 . . . . 0.0 111.006 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -90.47 10.63 24.5 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 109.272 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.46 5.52 10.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.587 ' O ' HG13 ' A' ' 38' ' ' VAL . 48.7 t90 -84.26 144.12 29.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.135 . . . . 0.0 107.97 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.928 HG12 ' HA ' ' A' ' 45' ' ' PRO . 9.9 m -156.73 143.22 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.435 ' SG ' ' HB ' ' A' ' 41' ' ' VAL . 8.2 t -40.01 102.67 0.26 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 48.49 2.0 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.461 1.769 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.823 HG21 ' CD1' ' A' ' 11' ' ' TYR . 43.7 t -138.39 -49.27 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.4 p -114.55 -33.43 5.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.085 . . . . 0.0 108.285 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.544 ' O ' ' C ' ' A' ' 44' ' ' ALA . . . 120.92 -29.98 5.63 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.039 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 43' ' ' GLY . . . -28.38 144.33 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.928 ' HA ' HG12 ' A' ' 38' ' ' VAL . 18.1 Cg_endo -75.0 159.22 41.62 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.781 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.79 -22.01 57.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.5 -8.38 50.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.017 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.492 ' OE1' ' CG2' ' A' ' 8' ' ' VAL . 19.1 mt-10 -107.25 35.13 3.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.491 ' CD2' ' CE2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -123.77 138.69 54.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 110.977 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -138.03 145.69 42.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.422 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . -75.71 109.04 8.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.26 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 51' ' ' ALA . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_