data_1hoy_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 1hoy _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 28.7 pt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.63 HG13 ' N ' ' A' ' 15' ' ' THR . 3.6 t -125.61 158.3 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -146.53 150.18 35.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 108.332 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.864 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 23.1 m-70 -84.3 147.61 27.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -113.05 114.3 26.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.932 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.15 -16.71 15.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.568 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -85.19 -49.56 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.89 -104.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.359 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.848 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -62.81 -161.64 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.848 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.7 Cg_endo -74.97 -54.53 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.468 1.773 . . . . 0.0 111.081 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.777 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 166.23 103.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 109.365 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 14' ' ' VAL . 51.8 p -154.76 139.58 17.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.6 1.188 . . . . 0.0 109.934 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.864 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.77 99.03 4.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.537 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.05 127.99 71.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.226 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.63 ' N ' HG13 ' A' ' 2' ' ' VAL . 9.4 m -48.25 141.98 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.984 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.91 178.6 1.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.724 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.91 -174.21 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.532 1.807 . . . . 0.0 111.058 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.724 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 115.78 4.39 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.517 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.0 -55.96 0.45 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.453 1.095 . . . . 0.0 110.966 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.659 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 33.4 mp0 -66.42 105.33 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 0.746 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -86.14 7.18 25.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -174.66 -170.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -104.14 -171.58 1.96 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 108.243 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 19.1 p90 -166.9 167.93 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.955 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.717 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -136.83 98.78 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.361 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.711 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.31 155.98 24.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.6 mtt -149.87 149.44 30.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.966 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.16 -101.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.657 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.69 119.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 108.218 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.512 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 40.8 t0 -48.21 178.04 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.66 -0.76 13.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.398 1.061 . . . . 0.0 109.252 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.5 m-85 -119.71 -11.86 9.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.62 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 4.0 t 37.5 59.14 1.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.8 m -59.51 176.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.046 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -73.04 -2.42 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.942 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.803 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -76.99 3.8 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.239 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.94 -124.18 7.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.966 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -97.95 -168.86 1.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 0.74 . . . . 0.0 109.371 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.55 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.68 -162.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.927 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.5 75.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.66 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.7 mt-10 -90.13 68.28 7.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.931 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.68 -179.34 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.231 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.496 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.58 -146.75 13.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.984 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 4.8 m -112.15 155.32 24.12 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.77 144.92 4.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.598 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -52.84 -46.96 68.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.224 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.598 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 23.7 p -160.57 162.47 32.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.442 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.84 97.66 0.13 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.36 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 1.036 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -74.95 -4.57 15.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.45 1.763 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.11 139.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.923 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.841 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.85 -114.93 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.841 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -155.93 -52.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.718 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.2 Cg_endo -75.0 -107.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.792 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.894 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.4 p90 -82.39 -53.13 6.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.74 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.6 mt-10 -36.63 72.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.894 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -87.08 90.57 8.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 110.23 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 1.036 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.6 t -98.43 158.03 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.233 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.57 -145.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.587 1.179 . . . . 0.0 110.386 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.3 m -153.16 171.98 17.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.374 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.95 114.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 108.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.474 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 24.6 p -110.02 -34.52 6.39 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.783 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.3 165.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.7 103.54 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.489 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.8 mttm 65.31 50.99 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.36 27.34 5.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 108.291 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 1.0 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.78 9.57 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 1.0 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.95 69.42 5.51 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.4 1.737 . . . . 0.0 111.042 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 1.132 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.7 p80 -37.83 158.04 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.571 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.649 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -74.98 104.59 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.522 1.801 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 1.132 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.99 -40.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.758 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 40.2 mt-30 -57.05 78.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.371 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 70' ' ' LYS . 46.2 ttt180 -167.96 141.27 2.69 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.3 Cg_endo -75.04 108.75 2.79 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.563 1.164 . . . . 0.0 110.985 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . 0.563 ' N ' ' C ' ' B' ' 14' ' ' ASP . 3.4 t-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.673 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -172.6 168.11 5.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.932 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.72 49.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.602 1.189 . . . . 0.0 110.999 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.803 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.4 m-85 -58.8 -165.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.51 39.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.274 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' SER . . . . . 0.429 ' CB ' ' NE ' ' A' ' 36' ' ' ARG . 13.0 t -148.68 -4.61 0.44 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.643 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 15.6 t -173.09 166.89 4.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.641 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -125.83 -23.17 4.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.093 . . . . 0.0 109.359 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.0 mm-40 -83.4 144.04 45.71 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -74.92 24.88 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' TRP . . . . . 0.579 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.3 t-105 -124.65 -34.5 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.741 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.2 m-30 -96.68 -35.75 0.27 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.741 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.1 Cg_endo -75.01 -37.47 2.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.602 1.843 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.563 ' C ' ' N ' ' B' ' 1' ' ' HIS . 2.2 t0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.233 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 32.2 pt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.65 HG13 ' N ' ' A' ' 15' ' ' THR . 3.2 t -127.09 155.79 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.003 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.83 149.93 36.26 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 108.286 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.835 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.8 m-70 -84.78 145.87 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.556 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.402 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -111.41 114.58 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.938 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.53 -16.11 15.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.449 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -86.11 -49.01 8.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.402 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -74.97 -103.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.854 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.55 -161.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.854 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.97 -54.62 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.498 1.789 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.767 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 165.98 103.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.9 p -154.09 138.95 17.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.039 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.835 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.68 99.97 5.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.625 1.203 . . . . 0.0 109.256 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.54 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.66 127.13 68.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.65 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.3 m -48.05 142.56 5.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.002 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.63 178.42 1.35 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 108.333 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.742 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.6 Cg_endo -74.89 -173.63 1.62 Allowed 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.742 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 114.31 4.0 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.359 1.715 . . . . 0.0 111.055 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.527 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 153.44 -56.34 0.43 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.669 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 12.9 mp0 -66.57 103.71 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.594 0.82 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.4 m120 -83.98 5.76 24.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -173.65 -171.37 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 1.003 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.06 -170.8 1.84 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 0.0 108.282 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.556 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.4 p90 -167.79 167.29 13.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.71 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.27 98.93 3.97 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.549 1.156 . . . . 0.0 110.346 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.71 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.5 156.14 24.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.453 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.13 150.81 32.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.965 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.27 -101.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 107.997 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.657 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.41 118.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 108.337 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.504 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 42.3 t0 -47.07 177.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.64 -0.65 13.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.6 m-85 -120.72 -10.21 9.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.604 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.1 t 37.1 62.43 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.9 m -60.55 175.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.68 ' CB ' HH21 ' A' ' 36' ' ' ARG . 47.4 m -72.8 -4.73 33.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.765 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.1 mmp_? -76.04 5.51 6.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.05 -124.59 7.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.614 1.196 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.965 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -97.08 -169.41 1.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.235 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.558 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.42 -161.73 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.921 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.93 76.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.661 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.8 mt-10 -90.62 68.33 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.926 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.54 -178.34 0.68 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.422 1.076 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.65 -146.91 13.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 1.002 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.1 m -112.14 155.13 24.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.46 144.93 4.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.402 1.064 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.589 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -52.71 -47.58 67.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.589 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 25.1 p -160.35 161.07 33.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.627 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.03 97.68 0.12 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 108.303 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 1.026 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.98 -5.06 16.32 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.446 1.761 . . . . 0.0 110.992 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.56 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -24.86 139.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.851 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.91 -114.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.371 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.851 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.29 -52.35 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.07 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.724 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.94 -106.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.901 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.25 -53.67 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.729 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -36.14 72.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.901 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -86.46 90.71 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 1.026 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.4 t -98.56 158.11 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -127.4 -144.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.627 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.3 m -154.36 171.86 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 108.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.76 114.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.338 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.41 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 18.9 p -110.25 -33.88 6.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.153 . . . . 0.0 110.056 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.788 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.64 166.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.385 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.68 103.33 3.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.482 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.2 mttm 65.53 51.2 1.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.593 1.183 . . . . 0.0 109.308 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -99.78 27.39 5.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 108.31 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.999 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.16 9.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.999 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.94 69.66 5.44 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.452 1.764 . . . . 0.0 111.098 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 1.124 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.9 p80 -38.32 158.11 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.629 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.651 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -75.04 104.81 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 111.05 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 1.124 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.87 -41.05 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 109.263 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.658 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 38.9 mt-30 -54.56 79.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.325 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -164.58 132.78 2.61 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.38 3.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.942 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . 0.52 ' N ' ' C ' ' B' ' 14' ' ' ASP . 28.6 t-80 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.688 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -166.0 167.49 16.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.938 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.15 49.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.765 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -59.39 -166.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.935 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.5 39.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.72 -3.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.646 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 18.8 t -174.18 167.03 4.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.911 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.642 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.6 tm? -126.58 -23.11 3.81 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.6 mm-40 -83.73 145.03 46.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.356 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.49 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -74.95 24.07 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.415 1.745 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' TRP . . . . . 0.598 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.3 OUTLIER -123.33 -38.18 2.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 108.077 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.74 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 7.0 m-85 -92.79 -35.91 0.34 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.74 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.5 Cg_endo -74.88 -37.97 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.522 1.801 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.52 ' C ' ' N ' ' B' ' 1' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 28.0 pt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.619 HG13 ' N ' ' A' ' 15' ' ' THR . 3.4 t -125.48 156.11 34.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.054 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.4 m -144.92 149.58 35.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.848 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.2 m-70 -83.14 146.61 28.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.403 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -112.2 114.62 27.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.349 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.943 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.24 -17.31 15.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.426 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.74 -49.08 8.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.403 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -75.0 -104.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.852 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.14 -161.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.071 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.852 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.97 -55.25 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.477 1.778 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.798 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 166.88 103.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.243 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.433 ' O ' HG13 ' A' ' 14' ' ' VAL . 52.5 p -156.01 138.84 15.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.848 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -75.48 98.59 3.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.508 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.3 128.15 71.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.619 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.1 m -47.22 142.75 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.801 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -99.37 178.85 1.17 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.573 1.171 . . . . 0.0 108.318 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.714 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -74.99 -174.67 2.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 0.0 111.029 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.714 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 118.69 5.36 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.487 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 149.13 -55.03 0.49 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.619 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 37.3 mp0 -67.71 106.64 2.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.589 0.817 . . . . 0.0 110.243 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -87.01 5.2 38.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -172.06 -171.35 0.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 1.054 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.8 m -103.02 -171.7 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 19.2 p90 -167.24 167.9 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.709 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.99 98.97 3.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.705 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.46 155.82 24.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.385 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.62 149.34 30.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.971 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.47 -101.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.143 . . . . 0.0 107.969 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.659 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.46 121.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 108.329 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.549 ' OD1' ' NE ' ' B' ' 2' ' ' ARG . 42.3 t0 -49.61 178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.02 -1.4 14.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.6 m-85 -116.97 -14.8 10.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.951 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.674 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 1.7 t 35.51 60.58 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 108.329 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.4 m -72.8 177.06 5.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.427 ' C ' ' H ' ' A' ' 37' ' ' GLY . 11.1 m -64.25 -9.5 17.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.034 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.74 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 9.5 mmm180 -67.65 1.49 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 84.23 -129.37 9.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.42 1.075 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.971 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -96.01 -168.2 1.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.55 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -106.45 -162.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.925 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.22 76.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.349 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.66 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.7 mt-10 -90.33 68.98 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.935 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.89 -176.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.193 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 156.45 -148.36 18.17 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.582 1.176 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.845 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 25.9 m -111.27 154.06 25.02 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.4 ' HA ' ' HG3' ' A' ' 20' ' ' GLU . . . -166.03 144.75 5.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.303 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.591 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -51.79 -48.03 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.591 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 23.3 p -160.4 161.59 33.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.54 97.45 0.11 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 1.03 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.4 Cg_endo -74.97 -4.82 15.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.473 1.775 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.564 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -24.82 139.61 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.863 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.41 -114.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.863 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.61 -52.44 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.715 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.9 -107.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.559 1.821 . . . . 0.0 110.988 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.906 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.51 -53.18 6.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.743 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.7 mt-10 -36.52 72.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.906 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -86.25 89.64 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 1.03 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.65 157.99 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.8 -146.22 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 13.1 m -152.46 172.35 16.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 108.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.202 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.52 115.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 108.394 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.471 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 33.6 p -110.58 -35.26 6.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.92 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.775 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.83 165.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.434 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.87 104.48 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.336 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 38.0 mttt 64.47 51.32 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 1.202 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.88 27.41 5.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 108.258 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.997 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.11 10.12 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.997 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -74.9 69.29 5.5 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.45 1.763 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 1.141 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.9 p80 -38.24 157.78 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.633 1.208 . . . . 0.0 109.684 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.651 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.98 105.12 2.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.812 . . . . 0.0 111.059 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 1.141 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -160.44 -40.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.399 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.627 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 41.1 mt-30 -54.91 79.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' A' ' 70' ' ' LYS . 3.2 ttt180 -163.28 133.03 3.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 114.36 4.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.956 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . 0.54 ' N ' ' C ' ' B' ' 14' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.686 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -164.82 167.94 18.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.083 . . . . 0.0 110.299 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.943 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.58 48.5 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 111.052 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.74 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.5 m-85 -56.37 -165.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 6.4 pt-20 -107.07 34.47 3.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 1.18 . . . . 0.0 110.363 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' SER . . . . . 0.425 ' HB3' ' NE ' ' A' ' 36' ' ' ARG . 40.8 t -145.18 -0.35 0.88 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.681 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 14.3 t -175.0 166.44 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.092 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.645 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -127.26 -24.26 3.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.621 1.201 . . . . 0.0 109.329 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' B' ' 11' ' ' TRP . 5.7 mm-40 -81.85 144.8 52.46 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.488 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.3 Cg_endo -75.02 25.12 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' TRP . . . . . 0.604 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 3.8 t-105 -125.22 -37.74 2.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.741 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.6 m-85 -93.03 -35.53 0.33 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.741 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.93 -39.5 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.542 1.812 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.54 ' C ' ' N ' ' B' ' 1' ' ' HIS . 6.7 t70 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 109.239 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 32.6 pt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.645 HG13 ' N ' ' A' ' 15' ' ' THR . 3.3 t -126.69 155.07 37.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.23 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.007 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.6 150.58 37.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.15 . . . . 0.0 108.342 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.845 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.5 m-70 -85.82 145.99 26.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.607 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.408 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -111.69 115.08 28.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.437 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.951 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.74 -17.34 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.614 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.77 -49.49 8.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.408 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.8 OUTLIER -74.43 -103.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.43 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.855 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.81 -161.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.045 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.855 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.95 -54.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.05 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.752 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 166.02 103.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.3 p -153.16 138.68 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.845 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.11 100.72 5.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.548 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -128.96 127.16 65.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.195 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.645 ' N ' HG13 ' A' ' 2' ' ' VAL . 8.6 m -48.15 142.21 5.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.012 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.12 178.46 1.36 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 108.188 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.745 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.98 -173.4 1.55 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.425 1.75 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.745 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.0 114.58 4.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.507 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 153.34 -56.29 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.667 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 7.7 mp0 -67.37 103.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -83.41 5.62 22.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.3 -171.36 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.411 1.069 . . . . 0.0 109.311 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 1.007 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.34 -170.01 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 108.415 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 19.2 p90 -168.3 167.84 11.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.712 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.69 98.58 3.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.085 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.714 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -81.97 156.23 24.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -150.12 151.51 33.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.951 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.78 -100.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.059 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.678 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -178.26 117.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 108.339 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 46.7 t0 -48.66 175.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.511 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -69.93 -2.08 11.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.7 m-85 -117.01 -13.04 10.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.598 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 4.6 t 37.71 60.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 108.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.8 m -59.86 174.36 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.936 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 m -71.66 -4.36 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.941 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.742 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.3 mmp_? -76.1 5.94 6.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.42 -125.29 7.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.951 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -96.5 -169.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.55 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.11 -162.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.919 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.51 76.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.368 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.682 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 2.9 mt-10 -91.4 68.07 5.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 110.267 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.927 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -65.86 -177.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.38 -146.85 13.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 1.012 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.8 m -112.37 155.24 24.48 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.438 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.81 144.55 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.578 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -52.41 -47.82 66.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.578 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 23.9 p -160.06 161.26 33.88 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.37 97.65 0.12 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.24 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 1.018 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -74.99 -5.26 16.58 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.577 1.83 . . . . 0.0 111.076 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -24.1 139.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.056 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.844 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.64 -114.77 0.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.435 1.084 . . . . 0.0 109.255 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.844 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.03 -52.65 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.722 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -74.85 -106.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.901 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.76 -53.26 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.734 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.8 mt-10 -36.54 72.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.901 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -86.58 90.08 8.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 110.259 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 1.018 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.4 t -97.48 158.41 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.5 m -127.78 -145.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.2 m -153.54 172.04 17.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 108.306 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.6 114.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 108.325 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.411 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 6.4 p -110.4 -34.38 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.09 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.49 165.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.431 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.19 103.82 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.481 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 38.7 mttt 65.2 51.0 1.7 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.542 1.152 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.78 27.34 5.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.232 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 1.0 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.99 9.48 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 1.0 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.87 69.66 5.39 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.534 1.807 . . . . 0.0 111.065 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 1.12 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.7 p80 -38.2 158.13 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.506 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.663 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -75.0 104.65 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.557 1.819 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 1.12 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.2 -41.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.645 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 40.4 mt-30 -55.56 80.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 70' ' ' LYS . 51.4 ttp180 -168.85 140.54 2.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.318 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -75.11 112.72 3.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.478 1.112 . . . . 0.0 110.946 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . 0.516 ' N ' ' C ' ' B' ' 14' ' ' ASP . 8.0 t60 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.698 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -162.16 168.34 22.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.614 1.196 . . . . 0.0 110.242 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.951 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.63 49.87 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.742 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -59.88 -166.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.513 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.36 38.94 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' SER . . . . . 0.455 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 33.1 t -146.4 -5.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.621 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 13.5 t -172.99 169.05 4.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.914 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.646 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -127.87 -21.34 3.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' B' ' 11' ' ' TRP . 1.3 mt-10 -85.27 144.53 41.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.501 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -74.99 26.0 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' TRP . . . . . 0.599 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.3 OUTLIER -124.64 -37.41 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.0 m-85 -94.31 -35.49 0.3 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.92 -38.97 1.39 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.545 1.813 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.516 ' C ' ' N ' ' B' ' 1' ' ' HIS . 3.5 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 30.1 pt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.589 HG13 ' N ' ' A' ' 15' ' ' THR . 2.9 t -124.75 157.15 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.066 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.7 m -146.06 149.87 34.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.855 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.8 m-70 -83.33 147.68 27.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.624 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.409 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -113.32 114.44 26.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.952 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.1 -16.88 15.63 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.544 1.152 . . . . 0.0 110.378 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -85.2 -49.2 8.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.409 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -74.86 -104.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.354 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.852 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.07 -161.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.852 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.95 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.799 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 166.49 104.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' HG13 ' A' ' 14' ' ' VAL . 51.4 p -157.01 139.78 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.855 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.14 97.83 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.477 ' C ' HG13 ' A' ' 2' ' ' VAL . 1.0 OUTLIER -124.61 129.5 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.589 ' N ' HG13 ' A' ' 2' ' ' VAL . 5.1 m -48.16 143.08 4.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.369 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.795 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.5 178.99 1.1 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.378 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.698 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.1 Cg_endo -75.01 -175.15 2.22 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.57 1.826 . . . . 0.0 110.974 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.698 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.5 Cg_endo -75.05 118.81 5.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.571 1.827 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.513 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 149.22 -55.67 0.49 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.635 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 36.7 mp0 -66.49 106.1 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 0.817 . . . . 0.0 110.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.4 m120 -86.68 5.29 36.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -172.23 -171.55 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 1.066 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.8 m -102.54 -172.22 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 108.24 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.9 p90 -167.03 167.52 14.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.711 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.49 99.27 4.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.716 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.86 157.05 23.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.226 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.487 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.35 152.95 35.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.596 1.185 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.974 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.58 -101.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 107.967 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.652 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.36 121.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 108.239 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.55 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 42.4 t0 -49.42 177.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.85 -1.65 14.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.3 m-85 -116.93 -13.94 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 1.9 t 35.45 60.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 108.282 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.0 m -71.52 175.9 5.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.419 ' C ' ' H ' ' A' ' 37' ' ' GLY . 14.0 m -64.68 -8.8 15.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.736 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 8.7 mmm180 -68.25 1.53 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 85.09 -127.94 8.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.974 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -97.05 -169.12 1.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 0.76 . . . . 0.0 109.355 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -105.05 -163.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.923 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -152.45 77.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 0.0 109.23 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.677 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -92.62 70.11 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.925 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -67.25 -176.7 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.381 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 156.86 -148.96 19.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.377 1.048 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 23.9 m -110.94 153.54 25.37 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.414 ' N ' ' HB3' ' A' ' 20' ' ' GLU . . . -165.61 145.64 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.353 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.595 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -52.72 -47.83 67.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.595 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 23.9 p -160.58 162.16 32.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.509 1.131 . . . . 0.0 110.468 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.625 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.91 97.11 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.322 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 1.023 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.4 Cg_endo -74.88 -4.65 15.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.521 1.8 . . . . 0.0 111.049 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.558 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -25.3 139.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.927 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.849 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.19 -114.62 0.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.849 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -156.17 -52.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.392 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.716 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.1 Cg_endo -75.0 -107.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.898 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.51 -52.96 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.737 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.0 mt-10 -36.91 72.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.898 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -86.76 90.42 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 110.233 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 1.023 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.29 158.18 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.344 1.028 . . . . 0.0 109.284 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.74 -146.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.456 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.625 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.8 m -152.64 172.29 16.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 108.252 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.204 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 178.82 115.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.456 1.097 . . . . 0.0 108.381 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.472 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 24.7 p -109.63 -35.09 6.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.79 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.44 164.01 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.44 103.13 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.47 ' HG2' ' CB ' ' A' ' 13' ' ' ALA . 72.0 mttt 66.63 50.32 1.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.373 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 1.204 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.7 p -99.91 28.45 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.331 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.994 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.88 10.44 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.994 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.99 69.6 5.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 1.135 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -38.37 158.27 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.65 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.635 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.5 Cg_endo -74.91 104.18 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.536 1.808 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 1.135 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.5 -40.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.721 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 36.9 mt-30 -56.47 78.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.411 1.069 . . . . 0.0 110.349 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 70' ' ' LYS . 55.9 ttt180 -167.36 141.38 3.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -75.03 112.72 3.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.436 1.756 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . 0.54 ' N ' ' C ' ' B' ' 14' ' ' ASP . 13.1 t-80 . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.68 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -169.48 167.87 9.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.135 . . . . 0.0 110.411 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.952 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.61 48.16 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.736 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.6 m-85 -56.15 -165.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 7.0 pt-20 -106.57 32.25 4.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' SER . . . . . 0.515 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 17.7 t -142.2 -0.24 1.29 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.674 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 31.0 t -176.18 167.53 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.648 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.4 tm? -126.6 -27.31 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' B' ' 11' ' ' TRP . 4.6 mm-40 -79.39 144.12 61.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.471 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -74.94 24.78 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' TRP . . . . . 0.604 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.9 OUTLIER -123.33 -38.43 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 107.994 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.6 m-30 -93.65 -35.48 0.32 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.99 -37.25 2.11 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.497 1.788 . . . . 0.0 111.054 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.54 ' C ' ' N ' ' B' ' 1' ' ' HIS . 2.7 t0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 28.2 pt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.638 HG13 ' N ' ' A' ' 15' ' ' THR . 3.3 t -125.74 157.36 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.011 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.97 150.23 35.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 108.293 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.854 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.8 m-70 -84.9 147.12 26.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.565 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.413 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.3 p -113.02 115.49 28.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.966 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.52 -17.91 15.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.612 1.195 . . . . 0.0 110.478 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.6 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.26 -49.72 8.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.413 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.8 OUTLIER -74.14 -103.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.414 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.858 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -64.03 -161.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.969 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.858 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.6 Cg_endo -75.07 -54.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.779 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.771 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 166.06 102.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 14' ' ' VAL . 59.1 p -153.92 138.94 17.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.618 1.199 . . . . 0.0 109.929 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.854 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.21 100.03 4.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.537 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.55 128.0 69.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.588 1.18 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.638 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.0 m -47.85 142.7 4.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.471 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.001 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.76 178.93 1.16 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 108.347 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.72 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.0 -174.56 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.72 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.99 115.1 4.19 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.502 1.79 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.518 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.89 -56.37 0.43 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.409 1.068 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.646 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 41.1 mp0 -66.54 104.43 1.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 0.755 . . . . 0.0 110.35 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.4 m120 -84.62 5.97 25.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.12 -170.8 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.602 1.189 . . . . 0.0 109.255 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 1.011 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.76 -170.96 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.345 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.1 p90 -167.59 167.51 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.71 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.48 99.19 4.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.342 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.715 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.58 156.76 23.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.48 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -150.3 151.63 33.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.975 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -168.5 -101.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 107.991 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.641 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.57 120.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 108.302 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.542 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.5 t0 -49.4 177.96 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.524 1.14 . . . . 0.0 109.215 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.37 -0.76 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.611 1.194 . . . . 0.0 109.247 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.9 m-85 -117.92 -13.78 10.05 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.572 1.17 . . . . 0.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.638 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 2.8 t 35.97 60.29 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -67.9 175.87 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.946 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.5 m -67.25 -6.66 19.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 110.048 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.752 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 6.0 mmm180 -71.19 2.67 4.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.7 -128.2 8.66 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.528 1.143 . . . . 0.0 111.063 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.975 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -96.24 -169.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.549 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.57 -163.78 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.929 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -152.53 77.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.686 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 2.9 mt-10 -92.0 69.69 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 0.0 110.241 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.926 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -67.72 -179.0 1.03 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.626 1.204 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.88 -145.92 11.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.58 1.175 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 1.001 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.7 m -113.49 154.13 27.55 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.59 144.65 5.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.596 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -52.01 -47.16 65.1 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.596 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 23.8 p -160.71 161.95 32.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.632 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.81 97.51 0.12 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 108.299 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 1.023 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.01 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -25.23 139.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.082 . . . . 0.0 110.031 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.858 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.36 -114.54 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.388 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.858 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.63 -52.29 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.72 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.95 -106.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.883 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.35 -53.15 5.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.743 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.7 mt-10 -36.26 73.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.883 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -86.92 90.74 8.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.236 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 1.023 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.59 158.26 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.93 -146.25 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.351 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.632 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.3 m -152.6 171.75 17.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 108.384 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.164 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.9 115.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 108.291 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.467 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 23.0 p -110.9 -35.33 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.971 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.35 165.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.3 103.46 2.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.616 ' HZ3' ' HB3' ' A' ' 13' ' ' ALA . 18.4 mttm 65.37 51.32 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.162 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 1.164 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.91 27.62 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 108.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.995 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.07 9.48 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.18 . . . . 0.0 109.285 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.995 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.9 69.52 5.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.553 1.817 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 1.105 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.7 p80 -38.1 157.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.069 . . . . 0.0 109.631 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.665 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -75.01 104.34 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.562 1.822 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 1.105 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -162.22 -37.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.7 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 38.2 mt-30 -60.39 61.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.661 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -99.07 -53.95 0.19 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.162 . . . . 0.0 110.345 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.584 ' HB2' ' CE2' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.96 -163.04 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.771 . . . . 0.0 111.064 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.428 1.08 . . . . 0.0 110.989 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . 0.533 ' N ' ' C ' ' B' ' 14' ' ' ASP . 3.4 p-80 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.683 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -163.86 167.21 21.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.361 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.966 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.14 49.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.893 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.752 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -57.45 -165.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 1.7 pt-20 -106.91 34.7 3.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' SER . . . . . 0.516 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 12.6 t -144.6 -3.51 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.953 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.606 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 19.6 t -172.66 165.56 5.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.017 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.638 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 2.0 tm? -126.28 -23.58 3.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.509 ' C ' ' H ' ' B' ' 11' ' ' TRP . 75.3 mm-40 -81.86 143.97 50.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 110.364 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.5 Cg_endo -74.97 27.83 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.462 1.769 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' TRP . . . . . 0.614 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.7 OUTLIER -126.84 -38.18 2.06 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 45.2 m-85 -94.0 -34.95 0.31 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.98 -42.0 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.407 1.741 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.533 ' C ' ' N ' ' B' ' 1' ' ' HIS . 3.5 t0 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.399 1.062 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 32.6 pt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.645 HG13 ' N ' ' A' ' 15' ' ' THR . 3.4 t -126.71 156.04 37.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.017 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.43 148.92 33.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.846 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.5 m-70 -84.11 146.15 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.41 1.068 . . . . 0.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.403 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -112.45 115.12 28.18 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.138 . . . . 0.0 110.428 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.944 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.1 -18.74 14.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.404 1.065 . . . . 0.0 110.408 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -83.29 -50.24 8.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.403 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -73.7 -103.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.17 . . . . 0.0 110.466 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.853 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.74 -161.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.081 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.853 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -75.01 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.438 1.757 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.829 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 166.4 102.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.402 ' O ' HG13 ' A' ' 14' ' ' VAL . 57.8 p -153.79 139.26 17.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.846 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.08 100.68 5.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.093 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.549 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -128.8 126.87 65.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 109.334 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.645 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.6 m -47.66 142.4 4.57 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.559 1.162 . . . . 0.0 110.419 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.984 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.42 179.06 1.17 Allowed Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.109 . . . . 0.0 108.311 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.73 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.96 -174.19 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.73 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.89 114.44 4.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.527 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 153.56 -56.75 0.42 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.48 1.112 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.633 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.5 mp0 -66.53 104.55 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.309 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -84.52 6.3 24.17 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.387 1.054 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.56 -171.36 0.67 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 1.017 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -103.31 -169.93 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.596 1.185 . . . . 0.0 108.354 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.556 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.9 p90 -168.54 167.37 11.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.709 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.29 99.03 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.719 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.36 156.7 24.08 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.363 1.039 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -150.36 150.83 31.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.976 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -167.66 -101.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 107.979 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.646 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.28 119.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 108.317 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.529 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.4 t0 -48.63 177.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.14 -0.97 13.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.8 m-85 -118.53 -12.0 9.85 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.627 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.0 t 36.62 60.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 108.284 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.1 m -63.1 176.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 0.0 109.975 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.8 m -71.48 -4.36 26.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.045 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.791 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.1 mmm180 -74.76 4.61 6.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.59 -125.43 7.41 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.976 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -97.24 -168.51 1.71 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 0.807 . . . . 0.0 109.387 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.544 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -104.55 -162.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.187 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.922 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.78 77.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.686 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 2.8 mt-10 -92.02 68.98 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.936 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.95 -178.8 0.81 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.28 -147.56 15.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.412 1.07 . . . . 0.0 111.067 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.984 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.6 m -111.42 154.96 23.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.74 144.41 4.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.571 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -51.95 -48.03 64.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.571 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 28.2 p -159.82 162.17 34.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.445 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.636 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.11 97.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 1.033 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.0 Cg_endo -75.05 -4.31 15.21 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.26 139.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.06 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.872 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.76 -114.26 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.872 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.97 -52.32 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.197 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.717 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.96 -106.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.504 1.791 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.883 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.09 -52.86 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 111.054 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.734 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.6 mt-10 -37.12 73.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.883 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -87.25 90.23 8.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.363 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 1.033 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.93 158.06 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -127.58 -144.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.636 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.4 m -153.68 171.97 18.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 108.235 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.16 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.82 114.8 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.41 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 15.5 p -110.24 -34.08 6.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.05 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.785 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.67 165.25 0.07 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.511 1.132 . . . . 0.0 110.481 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.7 103.53 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.473 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.0 mttm 65.29 51.36 1.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 1.16 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.88 27.31 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 108.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.994 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.15 9.98 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.994 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.93 69.3 5.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 1.172 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -38.74 158.28 0.1 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 109.524 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.622 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.04 104.57 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.439 1.757 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 1.172 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -159.36 -39.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.584 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 48.6 mt-30 -62.22 61.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.066 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -96.26 -55.31 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.592 1.183 . . . . 0.0 110.33 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 72' ' ' ARG . 18.6 Cg_endo -74.95 -28.91 8.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 110.96 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.453 ' C ' ' CG ' ' B' ' 9' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.6 1.188 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . 0.544 ' N ' ' C ' ' B' ' 14' ' ' ASP . 3.7 t-160 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.689 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -176.49 167.01 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.944 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.17 48.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.791 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -58.06 -166.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.423 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.82 38.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' SER . . . . . 0.458 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 16.7 t -154.21 10.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.817 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 1.6 t 175.57 161.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.068 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.623 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -125.02 -24.59 4.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.593 1.183 . . . . 0.0 109.262 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.492 ' C ' ' H ' ' B' ' 11' ' ' TRP . 2.1 mm-40 -81.61 142.76 49.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.238 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.485 ' CB ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -75.05 32.94 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.578 1.831 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' TRP . . . . . 0.653 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -132.4 -36.02 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.78 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 15.3 m-30 -97.46 -32.29 0.26 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.78 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.96 -42.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.544 ' C ' ' N ' ' B' ' 1' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.435 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 31.6 pt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.632 HG13 ' N ' ' A' ' 15' ' ' THR . 3.3 t -126.24 156.24 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.14 149.66 35.38 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.854 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.7 m-70 -84.2 147.23 27.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.42 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.3 p -113.18 114.77 27.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.401 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.958 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.22 -17.46 15.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.608 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.69 -49.49 8.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.218 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.42 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -74.54 -103.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.189 . . . . 0.0 110.378 -179.892 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.857 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.96 -161.4 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.857 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.98 -54.7 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.788 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 166.04 103.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 14' ' ' VAL . 56.3 p -154.57 138.64 16.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.92 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.854 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.21 100.03 4.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.394 1.059 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.532 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.38 127.43 69.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.632 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.0 m -46.96 142.58 3.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.456 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.977 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.63 178.53 1.28 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 108.328 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.725 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.95 -174.45 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.446 1.761 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.725 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.06 115.92 4.42 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.526 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 151.99 -56.3 0.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.127 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.653 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 35.4 mp0 -66.22 105.2 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.302 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -85.59 6.27 28.01 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.582 1.176 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -173.9 -171.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -103.29 -170.65 1.82 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 108.337 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.1 p90 -168.12 167.12 12.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.719 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.04 99.43 4.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.716 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.83 156.61 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.389 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.17 151.27 32.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.969 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.84 -101.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 107.979 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.643 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.51 120.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 108.293 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.541 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.5 t0 -49.05 177.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.03 -1.51 14.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 109.37 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.2 m-85 -117.65 -13.57 10.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.654 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 2.0 t 36.17 61.11 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.414 1.071 . . . . 0.0 108.206 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -67.63 175.92 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.925 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m -67.53 -7.15 23.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.048 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.769 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.9 mmm180 -70.92 3.06 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.72 -127.32 8.21 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.969 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -96.69 -169.01 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 109.277 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.552 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.44 -163.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.933 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.05 77.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.682 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -92.28 69.09 5.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.931 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.71 -177.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.06 -147.06 14.4 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.435 1.084 . . . . 0.0 111.07 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.977 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.0 m -112.32 155.6 23.84 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.12 145.45 4.18 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.393 1.058 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.595 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -53.14 -47.05 69.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.595 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 27.3 p -160.57 162.01 32.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.1 97.69 0.12 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 108.309 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 1.012 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.08 -4.56 15.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.561 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.04 139.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.047 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.835 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.05 -114.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.835 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -155.91 -52.66 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.722 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -74.87 -106.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.472 1.775 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.895 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.94 -53.29 5.95 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.551 1.157 . . . . 0.0 111.093 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.747 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.1 mt-10 -36.2 72.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 110.275 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.895 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -86.72 90.83 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 1.012 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.57 157.86 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -127.44 -146.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.419 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.0 m -152.8 171.53 18.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 108.273 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.177 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.99 115.29 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.092 . . . . 0.0 108.345 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.435 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 24.4 p -110.22 -34.6 6.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.782 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.05 165.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.436 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.11 103.58 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.486 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 32.9 mttt 65.53 51.02 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.4 1.063 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 1.177 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.61 27.31 5.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.994 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.1 9.91 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.994 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.98 69.09 5.62 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.399 1.736 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 1.16 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.7 p80 -38.49 158.16 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.586 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.632 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -75.04 104.24 1.87 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.587 1.835 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 1.16 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -160.2 -38.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.375 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.625 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 43.3 mt-30 -62.5 61.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.404 1.065 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 70' ' ' LYS . 2.1 ttt180 -96.33 -55.64 0.21 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.204 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.505 ' HD3' ' CB ' ' A' ' 72' ' ' ARG . 18.3 Cg_endo -74.89 150.72 39.17 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.779 . . . . 0.0 111.087 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . 0.539 ' N ' ' C ' ' B' ' 14' ' ' ASP . 27.8 m80 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.686 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER 178.23 165.72 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.958 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -115.55 49.56 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.769 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.1 m-85 -58.4 -164.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.5 OUTLIER -107.53 38.8 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.261 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' SER . . . . . 0.439 ' HB3' ' NE ' ' A' ' 36' ' ' ARG . 17.7 t -153.4 4.3 0.31 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.76 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 1.4 t -177.45 162.61 1.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.956 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.63 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 2.0 tm? -126.87 -23.13 3.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.474 ' C ' ' H ' ' B' ' 11' ' ' TRP . 4.1 mm-40 -83.12 142.91 44.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.412 1.07 . . . . 0.0 110.252 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.499 ' CB ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -75.05 37.5 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' TRP . . . . . 0.685 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -136.72 -36.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.792 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.3 m-85 -97.8 -30.57 0.25 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.792 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.6 Cg_endo -74.84 -43.36 0.43 Allowed 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.481 1.78 . . . . 0.0 111.06 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.539 ' C ' ' N ' ' B' ' 1' ' ' HIS . 1.3 t0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 22.2 pt . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.596 HG13 ' N ' ' A' ' 15' ' ' THR . 2.7 t -123.03 157.03 28.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.981 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.66 149.99 35.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.25 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.857 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.3 m-70 -85.11 146.47 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.521 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.406 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -111.76 114.66 27.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.961 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.36 -16.57 15.59 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.457 1.098 . . . . 0.0 110.428 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -85.54 -49.23 8.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.396 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.406 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -74.93 -104.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.444 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.861 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.2 -161.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.861 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.94 -54.73 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.437 1.756 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.768 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 165.9 102.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.42 ' O ' HG13 ' A' ' 14' ' ' VAL . 51.9 p -153.74 138.71 17.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.857 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.39 97.66 4.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.485 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -124.76 129.13 73.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.596 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.8 m -48.13 143.17 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.974 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.0 178.3 1.31 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.317 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.706 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.04 -175.17 2.23 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.569 1.826 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.706 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.01 115.43 4.28 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.544 1.813 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.501 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.89 -55.53 0.44 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.619 1.199 . . . . 0.0 111.067 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.645 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 47.7 mp0 -67.4 104.91 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -85.09 5.79 28.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.09 -170.77 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.981 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.98 -170.83 1.83 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.123 . . . . 0.0 108.333 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 17.9 p90 -167.62 167.68 13.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.708 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.93 99.2 3.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.713 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.41 156.14 24.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.376 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.92 149.78 30.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.067 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.966 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.43 -101.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.625 1.203 . . . . 0.0 108.012 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.674 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.61 117.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 108.325 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.507 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 47.6 t0 -47.92 176.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.507 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -70.79 -1.19 10.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.4 m-85 -119.16 -11.49 9.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.62 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.6 t 36.93 59.87 1.02 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.6 m -58.21 175.3 0.23 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -73.06 -2.83 22.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.759 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.2 mmp_? -77.79 5.44 9.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.43 -124.73 7.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.098 . . . . 0.0 111.039 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.966 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.3 OUTLIER -97.1 -168.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.596 0.821 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.98 -162.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.185 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.932 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.59 75.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.66 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.7 mt-10 -90.14 68.54 7.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.934 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.65 -178.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.21 -147.22 14.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.42 1.075 . . . . 0.0 111.088 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.974 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.8 m -111.87 155.2 24.02 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.8 144.96 4.3 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.525 1.141 . . . . 0.0 109.212 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.587 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -52.92 -47.22 68.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.587 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 22.6 p -160.41 161.49 33.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.628 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.74 97.81 0.12 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 108.311 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 1.029 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.0 Cg_endo -75.02 -3.92 14.64 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.646 1.866 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.36 139.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.859 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.27 -114.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.387 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.859 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 2.3 mptt -156.75 -52.37 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.718 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.04 -106.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.875 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.54 -53.24 5.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.733 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.8 mt-10 -36.31 73.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.875 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -87.28 91.04 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 1.029 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.67 158.23 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 m -127.55 -146.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.628 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.8 m -152.12 171.45 17.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 108.212 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.07 114.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.351 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 22.9 p -109.95 -34.29 6.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.955 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.78 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.68 165.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.435 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.9 103.53 2.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 18.9 mttm 65.23 51.84 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -100.34 27.16 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 108.312 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 1.023 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.59 9.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 1.023 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -75.01 69.28 5.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.405 1.74 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 1.117 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.6 p80 -37.92 158.13 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.609 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.659 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.04 104.32 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 1.117 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.53 -38.19 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.722 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 42.5 mt-30 -61.16 59.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.658 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -92.21 -50.44 0.3 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 110.234 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.691 ' CB ' ' CE2' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.9 -162.43 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.546 1.814 . . . . 0.0 111.01 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.04 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . 0.578 ' N ' ' C ' ' B' ' 14' ' ' ASP . 15.6 m-70 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.704 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -163.4 168.17 20.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.221 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.961 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.92 48.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 110.99 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.759 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.0 m-85 -59.42 -165.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.36 40.84 1.53 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' SER . . . . . 0.411 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 7.7 t -148.8 -7.72 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.069 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.594 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 19.1 t -170.9 167.42 7.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 110.051 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.641 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 2.0 tm? -127.13 -22.33 3.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.231 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.495 ' C ' ' H ' ' B' ' 11' ' ' TRP . 4.0 mm-40 -80.53 144.97 57.9 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.497 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.08 22.62 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.798 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' TRP . . . . . 0.606 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 5.0 t-105 -124.49 -38.21 2.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.733 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 28.9 m-85 -90.37 -35.78 0.39 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 111.066 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.733 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.1 Cg_endo -75.04 -39.64 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.571 1.827 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.578 ' C ' ' N ' ' B' ' 1' ' ' HIS . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 25.4 pt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.594 HG13 ' N ' ' A' ' 15' ' ' THR . 2.7 t -123.24 156.09 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.989 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.0 149.98 36.08 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.55 1.156 . . . . 0.0 108.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.869 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.1 m-70 -84.6 145.6 27.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.609 1.193 . . . . 0.0 109.621 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.435 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.3 p -112.19 114.8 27.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.605 1.191 . . . . 0.0 110.361 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.847 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.57 -22.68 14.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.367 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.528 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -79.42 -51.0 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.435 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -72.84 -105.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.393 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.858 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -62.48 -161.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.053 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.858 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.1 Cg_endo -74.99 -55.25 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.404 1.739 . . . . 0.0 111.035 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.902 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.1 OUTLIER 165.94 100.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.377 1.048 . . . . 0.0 109.365 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.423 ' O ' HG13 ' A' ' 14' ' ' VAL . 53.7 p -152.01 139.84 19.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.869 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.33 97.69 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.478 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -124.91 128.77 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.386 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.594 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.1 m -47.53 143.24 3.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 110.363 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.96 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.21 178.32 1.29 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.696 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.6 Cg_endo -74.97 -175.34 2.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.696 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.05 116.38 4.56 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.494 1.786 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.512 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 151.76 -55.43 0.46 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.646 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 43.0 mp0 -67.06 105.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 110.264 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -85.92 6.38 28.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.37 1.044 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.95 -171.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.191 . . . . 0.0 109.295 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.989 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.43 -171.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.354 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.559 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.6 p90 -167.37 167.43 13.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.967 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.718 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -136.33 99.06 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.716 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.4 155.76 24.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.6 mtt -149.72 149.37 30.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 111.07 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.963 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.38 -101.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.657 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.17 119.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.399 1.062 . . . . 0.0 108.301 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.523 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 40.2 t0 -47.71 177.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.84 -0.38 13.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.2 m-85 -120.82 -10.39 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.587 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 4.6 t 37.5 61.34 1.0 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.474 1.109 . . . . 0.0 108.252 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.1 m -59.85 174.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 109.924 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.2 m -72.67 -3.27 23.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.051 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.764 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 2.0 mmp_? -77.22 4.75 9.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.84 -124.15 7.0 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.601 1.188 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.963 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -97.25 -168.92 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.564 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -104.48 -161.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.61 1.194 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.946 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.98 76.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.679 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.5 mt-10 -91.11 68.66 6.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.929 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.54 -176.93 0.51 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.36 -146.92 14.4 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.512 1.133 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.96 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.8 m -112.41 156.13 23.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.65 144.6 3.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.59 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -52.27 -47.4 65.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.234 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.59 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 28.3 p -160.3 162.04 33.46 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.412 1.07 . . . . 0.0 110.435 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.14 97.63 0.12 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 108.328 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 1.037 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.06 -4.66 15.72 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.21 139.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.409 1.068 . . . . 0.0 109.991 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.854 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.76 -114.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.854 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.15 -52.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.723 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.96 -107.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.882 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -82.39 -52.54 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.73 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.5 mt-10 -37.62 73.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.882 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -87.56 89.55 8.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.246 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 1.037 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.04 157.74 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.423 1.077 . . . . 0.0 109.392 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -127.34 -146.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 13.4 m -152.5 172.01 17.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 108.277 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.91 115.37 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 108.252 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.477 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 19.6 p -110.47 -34.74 6.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 110.038 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.23 164.9 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.33 104.02 2.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.08 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.489 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 35.4 mttt 64.86 50.96 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.253 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.33 27.39 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 108.291 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.991 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.37 10.77 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.991 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -75.06 69.83 5.5 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.406 1.74 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 1.086 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 2.3 p80 -37.36 156.15 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.574 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.699 ' C ' ' HD3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.0 103.27 1.7 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 1.086 ' CD ' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -163.76 -38.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.18 . . . . 0.0 109.355 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.732 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 37.1 mt-30 -56.41 78.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.192 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.575 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -159.27 130.06 3.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 97.21 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . 0.649 ' N ' ' C ' ' B' ' 14' ' ' ASP . 13.1 t-80 . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.697 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -164.63 175.43 9.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.847 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -117.73 40.36 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.764 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -56.9 175.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -90.6 41.63 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' SER . . . . . 0.46 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 23.2 t -145.27 -15.74 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.97 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.612 ' OG ' ' HB2' ' B' ' 12' ' ' TYR . 11.5 t -164.98 171.65 13.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.091 . . . . 0.0 110.085 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.664 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.5 tm? -130.75 -19.85 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.472 ' C ' ' H ' ' B' ' 11' ' ' TRP . 3.5 mm-40 -84.9 144.39 41.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.52 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.5 Cg_endo -74.95 37.57 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.399 1.736 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' TRP . . . . . 0.677 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 10.0 t-105 -134.95 -40.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 107.958 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.778 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 10.9 m-30 -94.69 -32.01 0.28 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.778 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -75.0 -39.64 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.649 ' C ' ' N ' ' B' ' 1' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 15' ' ' THR . 34.2 pt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.657 HG13 ' N ' ' A' ' 15' ' ' THR . 3.5 t -128.24 156.67 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.007 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.87 150.65 36.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 108.324 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.861 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.7 m-70 -85.08 146.17 27.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.583 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.413 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -112.2 114.34 27.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 110.322 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.966 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -102.8 -17.83 15.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.447 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.611 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.22 -49.38 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.413 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.8 OUTLIER -74.61 -103.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 110.357 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.72 -161.49 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.99 -54.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.419 1.747 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.773 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 166.17 103.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.414 ' O ' HG13 ' A' ' 14' ' ' VAL . 48.7 p -154.33 139.22 17.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.471 1.107 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.861 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.83 101.44 5.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.535 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -129.28 126.68 64.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.657 ' N ' HG13 ' A' ' 2' ' ' VAL . 9.1 m -48.01 142.19 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.987 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.07 178.69 1.29 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 108.255 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.754 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.4 Cg_endo -74.95 -173.2 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.754 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 17.9 Cg_endo -75.07 115.15 4.19 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.445 1.761 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.504 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.5 -55.72 0.44 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.518 1.136 . . . . 0.0 111.114 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.638 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 40.4 mp0 -67.39 104.47 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 110.356 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -84.74 5.95 26.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.43 -170.48 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 1.007 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.92 -170.35 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 108.312 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.533 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.9 p90 -168.42 168.08 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.952 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.708 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -137.0 99.17 3.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.704 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.6 155.5 24.41 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.419 1.075 . . . . 0.0 109.432 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -148.94 152.13 35.83 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.598 1.186 . . . . 0.0 111.087 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.958 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.02 -101.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 107.973 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.648 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.75 120.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.557 ' OD1' ' NE ' ' B' ' 2' ' ' ARG . 41.3 t0 -48.63 177.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.23 -1.12 13.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.4 m-85 -118.11 -13.96 9.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 2.1 t 37.16 61.49 0.92 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 108.336 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.7 m -68.24 176.42 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.8 m -68.82 -6.45 26.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.951 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.746 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 7.1 mmm180 -71.55 2.93 4.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.73 -128.23 8.8 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.958 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -96.43 -168.49 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.734 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.562 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.77 -163.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.921 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.48 77.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.68 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.1 mt-10 -91.55 68.76 5.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.921 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.68 -178.68 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.02 -146.31 12.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.412 1.07 . . . . 0.0 111.081 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.987 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 4.7 m -112.54 155.84 23.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.46 144.44 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.585 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -52.0 -47.58 64.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.585 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 23.6 p -160.35 162.42 33.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.338 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.642 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.28 97.5 0.12 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 108.345 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 1.019 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -75.01 -4.58 15.61 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.54 1.811 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -24.95 139.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.581 1.176 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.857 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.64 -114.54 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.857 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.5 -52.43 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.72 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.1 Cg_endo -75.08 -106.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.416 1.745 . . . . 0.0 110.98 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.888 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.7 p90 -82.82 -53.05 6.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.739 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.6 mt-10 -36.52 73.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.888 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -87.04 90.42 8.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 1.019 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.6 t -98.21 157.6 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.404 ' HB ' ' CG ' ' A' ' 25' ' ' ARG . 2.9 m -127.54 -148.15 0.37 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.405 1.066 . . . . 0.0 110.381 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.642 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.9 m -150.59 171.35 17.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 108.285 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.69 114.89 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 108.353 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.0 p -110.05 -35.48 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.887 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.781 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.28 166.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.414 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.52 103.52 2.99 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.596 1.185 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 20.6 mttm 65.41 51.18 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.95 27.91 5.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.15 . . . . 0.0 108.211 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.996 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.53 10.06 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.996 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -75.13 69.72 5.57 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.523 1.801 . . . . 0.0 111.041 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 1.12 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.7 p80 -37.96 157.55 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.516 1.135 . . . . 0.0 109.568 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.666 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -74.95 104.79 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 1.12 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.76 -43.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.645 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 44.9 mt-30 -55.5 84.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.479 1.112 . . . . 0.0 110.356 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.702 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . 2.0 ttp180 -146.2 -61.33 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.393 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -74.98 83.82 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 73' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . 0.539 ' N ' ' C ' ' B' ' 14' ' ' ASP . 8.6 t60 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.696 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -168.38 166.94 12.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.966 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.48 49.16 1.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.94 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.746 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.5 m-85 -57.13 -165.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 1.0 OUTLIER -106.8 38.1 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' SER . . . . . 0.504 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 33.9 t -146.41 -7.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.979 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.629 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 13.5 t -169.61 170.03 8.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.631 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -129.66 -20.23 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.395 1.059 . . . . 0.0 109.213 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.494 ' C ' ' H ' ' B' ' 11' ' ' TRP . 1.2 mm-40 -84.7 142.77 39.9 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -75.06 32.4 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.448 1.762 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' TRP . . . . . 0.618 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -129.96 -37.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 107.99 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 68.4 m-85 -96.14 -34.25 0.27 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 111.09 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -74.98 -42.59 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.539 ' C ' ' N ' ' B' ' 1' ' ' HIS . 4.5 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 28.5 pt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.653 HG13 ' N ' ' A' ' 15' ' ' THR . 3.2 t -126.87 154.63 37.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 109.364 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.993 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -143.78 149.85 37.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 108.266 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.855 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.4 m-70 -85.04 146.57 27.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.577 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.408 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -112.4 115.08 28.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.426 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.966 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.48 -17.69 15.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.408 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.601 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.5 -50.21 7.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.408 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -73.58 -103.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.859 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -64.08 -161.24 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.911 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.859 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.99 -55.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.424 1.749 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.776 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 166.55 102.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.235 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.402 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.4 p -153.35 138.62 17.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.855 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.93 101.05 5.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.552 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -129.38 126.43 63.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.168 . . . . 0.0 109.199 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.653 ' N ' HG13 ' A' ' 2' ' ' VAL . 6.6 m -46.67 142.71 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.358 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.993 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.18 178.63 1.27 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 108.255 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.738 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -75.01 -173.8 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.563 1.823 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.738 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.98 116.13 4.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.509 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.18 -57.1 0.43 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.389 1.055 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.634 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 38.9 mp0 -66.77 105.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.4 m120 -84.84 6.34 25.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.74 -171.01 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.993 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.47 -170.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.605 1.191 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.554 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.0 p90 -168.02 167.4 12.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.714 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.46 99.25 4.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.584 1.178 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.704 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.7 156.33 23.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.78 152.03 34.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.973 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.05 -101.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.109 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.635 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.16 120.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.311 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.552 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.8 t0 -49.53 178.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 109.198 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.56 -0.62 13.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.473 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.1 m-85 -119.61 -11.5 9.42 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.623 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.7 t 35.98 59.64 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 108.264 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -63.57 175.36 1.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 m -69.53 -5.05 21.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 109.931 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.789 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.1 mmm180 -73.45 3.09 6.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.91 -126.66 8.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.973 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -96.24 -169.29 1.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.767 . . . . 0.0 109.358 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 30' ' ' ASP . 1.9 t -104.38 -163.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.923 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.06 76.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.209 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.68 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -91.79 69.87 5.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.603 1.189 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.923 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -67.65 -177.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.64 -146.86 13.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.993 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 6.1 m -112.39 154.25 26.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.401 ' HA ' ' HG3' ' A' ' 20' ' ' GLU . . . -166.74 145.11 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.583 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -53.01 -47.17 68.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.583 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 24.1 p -160.23 162.37 33.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.96 97.63 0.13 Allowed Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.528 1.142 . . . . 0.0 108.243 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 1.029 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.96 -4.56 15.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.556 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -25.12 139.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.063 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.854 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.91 -114.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.854 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.52 -52.38 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.715 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.07 -106.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.896 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.23 -53.13 6.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.721 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.1 mt-10 -37.08 72.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.142 . . . . 0.0 110.344 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.896 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -87.11 89.93 8.17 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.574 1.171 . . . . 0.0 110.221 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 1.029 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.51 158.27 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.65 -146.03 0.32 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 10.9 m -152.8 171.91 17.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 108.336 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.15 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.89 116.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 108.28 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.5 p -111.23 -34.92 6.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.049 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.786 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.78 166.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.69 103.24 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 17.0 mttm 65.83 51.15 1.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 1.15 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -99.9 26.97 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.244 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 1.022 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.72 9.15 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 1.022 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -75.01 69.51 5.54 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.546 1.814 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 1.128 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -37.89 158.13 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.605 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.661 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -75.03 104.63 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.426 1.751 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 1.128 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.19 -40.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.575 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 45.5 mt-30 -60.99 66.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.655 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -115.71 -60.8 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.272 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.2 Cg_endo -74.98 107.79 2.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.579 ' C ' ' CE2' ' B' ' 12' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . 0.561 ' N ' ' C ' ' B' ' 14' ' ' ASP . 6.4 t-80 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.686 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -166.93 167.43 14.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.966 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.19 49.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.789 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -58.02 -165.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.2 OUTLIER -107.1 39.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' SER . . . . . 0.499 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 12.2 t -149.33 -4.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.617 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 10.7 t -171.37 166.53 6.99 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.427 1.08 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.633 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -127.6 -20.79 3.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.0 mm-40 -83.28 143.4 44.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.475 ' CB ' ' HA ' ' B' ' 1' ' ' HIS . 18.0 Cg_endo -75.11 26.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.571 1.827 . . . . 0.0 110.987 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' TRP . . . . . 0.602 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -126.96 -35.2 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 108.002 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.747 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 48.6 m-85 -95.93 -34.93 0.27 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.747 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.6 Cg_endo -74.93 -38.02 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.808 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.561 ' C ' ' N ' ' B' ' 1' ' ' HIS . 2.4 t0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 27.4 pt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.583 HG13 ' N ' ' A' ' 15' ' ' THR . 2.7 t -123.87 154.5 30.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.98 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -143.54 149.71 37.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 108.284 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.853 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 20.5 m-70 -84.96 145.0 27.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.604 1.19 . . . . 0.0 109.568 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.409 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -110.84 115.35 29.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.969 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.52 -17.65 15.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.57 -49.98 8.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 109.368 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.409 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -74.02 -103.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.852 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.45 -161.56 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.962 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.852 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.0 Cg_endo -75.08 -54.68 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.466 1.772 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.785 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 165.87 103.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.438 ' O ' HG13 ' A' ' 14' ' ' VAL . 53.6 p -155.03 138.46 15.88 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.853 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -75.72 97.59 3.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.493 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -124.15 129.2 74.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 109.198 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.583 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.4 m -48.38 143.14 5.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.964 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.33 177.85 1.42 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.074 . . . . 0.0 108.25 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.712 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -74.98 -174.8 2.06 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.475 1.776 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.712 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -74.99 116.69 4.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.531 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 151.57 -56.35 0.45 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.663 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 11.0 mp0 -66.14 104.86 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -85.11 5.68 28.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.632 1.207 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.38 -170.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.373 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.98 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -103.94 -171.13 1.88 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.538 1.149 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.4 p90 -167.3 167.79 13.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.568 1.168 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.703 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.74 99.09 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 110.312 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.705 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.26 156.24 24.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.482 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -149.87 151.51 33.58 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.964 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -168.39 -100.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 108.013 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.661 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.26 118.8 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 108.317 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.547 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.2 t0 -48.47 177.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.02 -0.68 12.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.485 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.9 m-85 -120.61 -9.71 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.611 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.1 t 35.08 61.42 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 108.398 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.5 m -61.18 175.74 0.51 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 m -72.46 -2.53 19.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.993 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.783 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 1.4 mmp_? -77.43 5.52 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 110.206 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.15 -124.56 7.08 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.488 1.118 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.964 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -97.91 -169.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.368 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.547 ' CG2' ' N ' ' A' ' 30' ' ' ASP . 2.0 t -103.49 -163.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.913 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.06 76.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.679 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -91.22 69.21 6.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.223 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.935 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.87 -178.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.458 ' O ' ' HB3' ' A' ' 3' ' ' CYS . . . 159.1 -146.61 13.25 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.964 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.8 m -112.38 155.42 24.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.448 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.14 145.27 4.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.592 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -53.7 -46.6 70.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.592 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 25.5 p -160.39 162.03 33.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.52 97.76 0.13 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 1.042 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -75.02 -4.38 15.31 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.558 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.26 139.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.59 1.181 . . . . 0.0 109.994 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.862 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.84 -114.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.415 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.862 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 1.7 mptt -156.75 -52.52 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.085 . . . . 0.0 109.356 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.712 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.97 -106.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.884 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.65 -52.68 6.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.581 1.175 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.732 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.7 mt-10 -37.41 73.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.884 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -87.49 90.36 8.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 1.042 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.6 t -97.83 157.94 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.5 m -127.12 -145.55 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.6 m -153.27 171.87 17.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.85 114.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 108.304 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.455 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 21.2 p -109.66 -33.56 6.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.779 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -50.32 166.41 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.57 104.15 3.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.471 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 36.4 mttt 64.48 51.59 1.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -100.09 27.0 5.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 1.02 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.85 9.05 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.236 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 1.02 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.7 Cg_endo -74.97 68.86 5.66 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 1.132 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.6 p80 -37.6 158.04 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 109.563 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.633 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.01 104.17 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.081 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 1.132 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.87 -38.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.587 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 44.1 mt-30 -61.76 61.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.636 ' N ' ' O ' ' A' ' 70' ' ' LYS . 7.7 ttt180 -102.49 -57.25 0.1 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.598 ' HB2' ' CD2' ' B' ' 12' ' ' TYR . 18.5 Cg_endo -74.99 53.08 3.22 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.48 1.779 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.96 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . 0.515 ' N ' ' C ' ' B' ' 14' ' ' ASP . 39.4 t60 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.71 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -175.74 166.64 3.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.969 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.47 49.08 1.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.783 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.0 m-85 -58.87 -164.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -107.74 41.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.9 -1.63 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.014 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.661 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 5.2 t -173.9 164.44 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.635 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -127.01 -21.49 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' B' ' 11' ' ' TRP . 2.9 mm-40 -83.11 143.41 45.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.393 1.058 . . . . 0.0 110.349 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.512 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -75.01 34.35 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' TRP . . . . . 0.669 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -134.02 -37.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.774 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 71.5 m-85 -95.29 -32.12 0.27 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.774 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.6 Cg_endo -74.98 -41.15 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.515 ' C ' ' N ' ' B' ' 1' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 27.9 pt . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.624 HG13 ' N ' ' A' ' 15' ' ' THR . 3.4 t -124.12 157.47 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.01 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.9 m -145.81 149.97 35.33 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 0.0 108.316 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.847 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.7 m-70 -84.82 146.93 27.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 0.0 109.635 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.438 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.3 p -113.77 115.15 27.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.419 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.943 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.69 -23.11 14.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.07 . . . . 0.0 110.455 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -79.01 -51.18 9.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.438 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -72.1 -104.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.458 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -63.91 -161.24 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 110.076 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -75.05 -54.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.915 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 165.58 101.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.353 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.401 ' O ' HG13 ' A' ' 14' ' ' VAL . 62.5 p -152.69 140.23 19.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.847 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.8 99.61 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.528 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.1 127.73 71.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.624 ' N ' HG13 ' A' ' 2' ' ' VAL . 8.3 m -48.47 142.29 5.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.396 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.977 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -99.0 178.55 1.26 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 108.285 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.719 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.91 -174.47 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.523 1.801 . . . . 0.0 111.067 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.719 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.04 115.53 4.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.954 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.516 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 153.08 -56.93 0.43 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.621 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.8 mp0 -66.4 104.61 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.605 0.826 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.4 m120 -85.13 9.21 15.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.787 HD11 ' SG ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -175.99 -168.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 1.01 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -106.86 -171.05 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 108.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.534 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.4 p90 -166.14 167.68 16.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.691 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -137.12 99.46 4.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.372 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.687 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -83.12 155.53 23.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.6 mtt -149.83 148.61 29.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.964 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -165.51 -101.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.654 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.56 121.53 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 108.342 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.556 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 42.9 t0 -48.76 178.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.372 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.73 -0.44 13.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.242 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.8 m-85 -117.94 -16.13 9.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.644 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 2.0 t 37.3 61.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.317 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.0 m -73.41 176.96 5.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 37' ' ' GLY . 8.6 m -63.88 -10.04 18.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.763 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 8.0 mmm180 -67.31 -0.1 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 85.36 -129.3 9.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.964 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -95.16 -168.48 1.81 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.566 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -106.28 -161.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.944 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -154.21 77.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.688 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.4 mt-10 -92.51 68.36 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.95 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -65.95 -175.97 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.383 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.485 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.09 -148.55 18.42 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.977 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 8.0 m -109.93 154.95 22.38 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.69 143.29 2.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.592 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -51.26 -46.54 62.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.592 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 43.2 p -159.85 161.41 34.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.857 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.9 OUTLIER -37.89 99.36 0.18 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.291 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 1.01 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.02 0.68 8.62 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.578 1.831 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -27.02 140.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.951 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.863 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -95.5 -113.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.409 1.068 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.863 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -156.54 -52.75 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.37 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.723 ' HD3' ' HB2' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -75.01 -106.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.527 1.804 . . . . 0.0 111.069 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.902 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.17 -52.52 6.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.694 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.0 mt-10 -38.07 72.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.902 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -87.11 88.6 7.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 1.01 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.13 158.49 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.464 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 1.1 m -131.89 -155.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.857 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 1.2 m -140.47 176.64 8.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 108.246 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.204 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 177.06 112.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.278 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.464 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 9.3 p -108.11 -35.89 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.079 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.752 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.03 160.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.5 104.11 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.488 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 32.5 mttt 64.22 51.91 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.36 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 1.204 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.7 p -99.23 27.01 5.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 108.293 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.996 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.17 10.86 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.216 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.996 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -74.9 69.08 5.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.416 1.745 . . . . 0.0 111.036 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 1.134 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.4 p80 -37.75 157.16 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.644 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.633 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -74.96 103.25 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.434 1.755 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 1.134 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.68 -39.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.596 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 44.2 mt-30 -57.67 75.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.589 ' N ' ' O ' ' A' ' 70' ' ' LYS . 18.8 ttt85 -162.2 140.17 6.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.5 Cg_endo -74.98 105.87 2.17 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.608 1.846 . . . . 0.0 111.038 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . 0.544 ' N ' ' C ' ' B' ' 14' ' ' ASP . 3.4 t-160 . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.653 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -158.56 171.6 19.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.943 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -117.77 40.81 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 111.12 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.763 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.4 m-85 -52.45 -175.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 7.7 pt-20 -99.49 34.78 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' SER . . . . . 0.503 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 19.3 t -144.43 2.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.922 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.716 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 22.3 t -179.0 166.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.648 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.1 tm? -126.6 -27.34 3.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' B' ' 11' ' ' TRP . 0.7 OUTLIER -77.74 144.53 69.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 110.286 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.532 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -74.99 29.04 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.422 1.749 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' TRP . . . . . 0.62 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 2.5 t90 -128.5 -37.85 1.77 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.75 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 4.0 m-30 -94.53 -34.64 0.29 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.75 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.7 Cg_endo -74.88 -41.81 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.544 ' C ' ' N ' ' B' ' 1' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 15' ' ' THR . 26.9 pt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.649 HG13 ' N ' ' A' ' 15' ' ' THR . 2.8 t -122.27 152.13 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.955 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.06 149.21 36.26 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.57 1.169 . . . . 0.0 108.395 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.84 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 20.7 m-70 -85.08 145.66 27.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.593 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.416 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -111.85 114.96 28.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.962 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.42 -17.67 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.414 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.54 -49.28 8.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.416 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -74.9 -104.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 110.446 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.849 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.16 -161.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.849 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -75.0 -54.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.751 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 165.77 102.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.2 p -152.75 138.91 18.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.84 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -78.28 103.37 8.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.218 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.558 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -130.95 127.3 61.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.649 ' N ' HG13 ' A' ' 2' ' ' VAL . 9.7 m -49.01 141.91 7.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.964 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.15 177.87 1.54 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 108.334 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.737 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.95 -173.43 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.737 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.5 Cg_endo -75.0 112.63 3.61 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.508 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 156.49 -57.37 0.38 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.657 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 3.6 mp0 -67.0 103.87 1.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -83.47 7.43 16.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -175.81 -171.39 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.416 1.073 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.955 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -103.77 -169.52 1.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.281 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 17.4 p90 -168.17 167.15 12.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.06 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.71 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.41 99.07 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.714 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.37 156.53 24.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.03 151.67 33.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.976 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -168.24 -101.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 107.984 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -177.0 118.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 108.25 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 46.7 t0 -48.81 176.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.612 1.195 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.512 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -71.3 -1.16 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.7 m-85 -119.13 -10.38 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.624 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.2 t 34.83 60.36 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 108.366 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.6 m -59.57 175.69 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.6 m -72.52 -2.01 18.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.091 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.767 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.8 mmp_? -78.09 5.12 10.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.13 -124.34 6.98 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.557 1.16 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.976 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 1.7 mmtt -97.69 -168.67 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.541 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.8 t -104.24 -164.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.923 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -152.4 76.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.681 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -90.85 68.56 6.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.918 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.62 -178.44 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 109.397 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.52 -146.49 12.93 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.964 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.6 m -112.0 155.65 23.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.8 144.83 3.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 109.388 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.585 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -53.53 -46.87 70.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.585 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 27.8 p -159.95 162.83 34.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.61 1.194 . . . . 0.0 110.405 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -35.29 97.98 0.14 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 108.275 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 1.034 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.05 -4.01 14.76 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.58 1.832 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.555 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.54 139.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.956 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.85 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.94 -114.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.85 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.26 -52.49 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.721 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.03 -106.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 111.062 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.903 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.5 -53.37 5.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.408 1.068 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.725 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.3 mt-10 -36.51 72.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.903 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -86.71 89.99 8.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 1.034 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.33 158.55 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -127.62 -144.98 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.6 m -153.66 172.0 17.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.325 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.77 115.07 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 108.255 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.2 p -110.31 -34.44 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.048 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.22 165.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.42 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.52 102.28 2.66 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HG2' ' CB ' ' A' ' 13' ' ' ALA . 37.7 mttt 67.37 51.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -100.38 26.79 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 108.281 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 1.01 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.48 8.58 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 1.01 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.6 Cg_endo -74.86 69.87 5.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.393 1.733 . . . . 0.0 110.965 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 1.113 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.9 p80 -38.53 158.01 0.1 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.634 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.68 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 17.9 Cg_endo -75.14 105.43 2.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 1.113 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.95 -40.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.764 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 39.7 mt-30 -56.92 77.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.255 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 70' ' ' LYS . 20.5 ttm-85 -166.02 138.71 3.3 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.153 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 107.06 2.4 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.054 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.956 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . 0.61 ' N ' ' CB ' ' B' ' 14' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.718 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -173.89 168.95 4.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.216 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.962 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.93 48.55 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.637 1.211 . . . . 0.0 110.962 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.767 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.2 m-85 -59.66 -165.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 1.092 . . . . 0.0 110.983 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.51 41.37 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -149.16 -9.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.972 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.613 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 12.3 t -167.93 168.98 11.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.655 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -129.99 -16.16 3.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' B' ' 11' ' ' TRP . 55.4 mm-40 -88.09 144.21 34.13 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.517 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.3 Cg_endo -74.97 36.54 0.44 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' TRP . . . . . 0.667 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.5 t90 -135.14 -38.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.001 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.768 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 7.8 m-30 -94.75 -32.36 0.28 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.768 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.99 -42.49 0.5 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.559 1.821 . . . . 0.0 110.967 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.61 ' CB ' ' N ' ' B' ' 1' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 30.4 pt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.619 HG13 ' N ' ' A' ' 15' ' ' THR . 3.5 t -124.1 156.68 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.192 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.976 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.07 150.41 36.79 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.45 1.094 . . . . 0.0 108.309 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.874 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.7 m-70 -84.89 147.41 26.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.591 1.182 . . . . 0.0 109.56 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.432 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.3 p -114.46 114.64 26.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.475 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.938 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.03 -23.57 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.403 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -78.36 -51.37 10.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.432 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -72.48 -105.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.534 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.843 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -61.96 -161.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.843 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -75.11 -54.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.962 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 165.3 100.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.435 ' O ' HG13 ' A' ' 14' ' ' VAL . 57.0 p -153.44 140.86 19.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.021 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.874 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.01 100.89 5.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.527 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.7 127.68 70.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.619 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.9 m -48.18 142.4 5.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 1.008 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -99.76 178.33 1.3 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 108.329 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.721 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -75.01 -174.39 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.721 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.93 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.547 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.62 -57.25 0.43 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.594 1.184 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.624 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.6 mp0 -65.86 104.46 1.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.535 0.785 . . . . 0.0 110.46 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -85.28 9.65 14.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.762 HD11 ' SG ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -176.45 -167.39 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.976 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -107.62 -171.33 1.85 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.456 1.097 . . . . 0.0 108.342 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.548 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.2 p90 -165.78 168.52 15.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.701 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -137.87 99.24 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.175 . . . . 0.0 110.317 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.687 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -82.61 155.78 24.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.383 1.052 . . . . 0.0 109.349 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.7 mtt -149.95 149.5 30.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.963 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -166.28 -100.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 107.981 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.656 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.38 121.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 108.298 -179.871 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.552 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 43.7 t0 -48.83 177.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.67 -1.77 17.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.7 m-85 -119.1 -11.42 9.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.614 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.1 t 36.7 61.32 0.86 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 108.295 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.4 m -65.26 175.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.041 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.5 m -69.84 -5.39 25.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.794 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 4.7 mmm180 -73.31 3.58 5.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.66 -127.56 8.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.432 1.083 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.963 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -95.82 -167.93 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.572 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -105.21 -161.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.941 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -154.3 77.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.696 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.3 mt-10 -92.4 69.05 5.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.949 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.69 -175.75 0.42 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.505 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.05 -147.98 17.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.564 1.165 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 1.008 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 7.4 m -110.29 155.0 22.67 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.94 142.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.598 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -50.74 -46.34 59.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.598 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 41.9 p -160.06 161.02 33.82 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.84 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -37.52 99.26 0.18 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.167 . . . . 0.0 108.272 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 1.016 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -74.96 0.79 8.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -26.7 139.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.083 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.849 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.75 -114.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.849 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.15 -53.13 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.732 ' HD3' ' HB2' ' A' ' 52' ' ' LYS . 18.1 Cg_endo -75.04 -106.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.903 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.4 p90 -82.46 -52.49 6.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.699 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 19.2 mt-10 -38.31 72.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.903 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -87.35 88.8 7.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 1.016 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.89 159.08 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.499 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 1.4 m -132.06 -155.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.444 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.84 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 1.2 m -140.96 175.81 9.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 108.358 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.214 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 177.45 111.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.369 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.48 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 8.8 p -108.12 -35.22 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.082 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.754 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.97 160.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.433 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.83 104.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 30.3 mttt 63.99 52.22 2.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.217 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 1.214 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.8 p -99.73 27.61 5.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 0.0 108.32 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.995 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -110.08 10.92 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.995 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.1 Cg_endo -74.96 69.41 5.53 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.53 1.805 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 1.158 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.6 p80 -38.93 157.82 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.638 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.613 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.99 103.73 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 1.158 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -159.87 -39.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.609 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 45.6 mt-30 -58.33 75.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.579 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -157.59 132.57 5.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 110.29 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 95.49 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.445 1.761 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 110.957 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . 0.577 ' N ' ' CB ' ' B' ' 14' ' ' ASP . 6.5 m-70 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.665 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -171.3 171.87 5.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.631 1.207 . . . . 0.0 110.344 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.938 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -118.87 42.09 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 111.064 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.794 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.2 m-85 -54.23 -171.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -102.7 38.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' SER . . . . . 0.481 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 29.0 t -154.18 13.6 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.828 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 13.2 t 171.77 159.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.928 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.647 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.2 tm? -123.55 -27.17 4.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' B' ' 11' ' ' TRP . 0.4 OUTLIER -75.73 145.63 78.69 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.507 ' CB ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.05 23.7 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.503 1.791 . . . . 0.0 110.986 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' TRP . . . . . 0.626 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -126.12 -36.99 2.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.75 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.7 m-30 -92.47 -34.51 0.34 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 111.05 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.75 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -74.96 -40.63 0.85 Allowed 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 124.526 1.803 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.577 ' CB ' ' N ' ' B' ' 1' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 29.3 pt . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.64 HG13 ' N ' ' A' ' 15' ' ' THR . 3.1 t -126.97 155.66 37.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.01 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.17 149.27 34.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 108.26 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.852 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 20.6 m-70 -84.18 146.22 27.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.632 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.416 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.3 p -112.31 115.63 29.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.952 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.83 -17.77 14.92 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.126 . . . . 0.0 110.356 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.6 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.47 -49.6 8.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.416 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -74.31 -103.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.855 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.98 -161.52 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.921 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.855 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.5 Cg_endo -74.83 -54.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.59 1.837 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.794 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 166.08 103.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.403 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.2 p -154.37 139.29 17.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.852 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.78 99.96 5.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.374 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.528 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.86 127.28 67.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.64 ' N ' HG13 ' A' ' 2' ' ' VAL . 6.7 m -47.5 142.75 4.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.991 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.4 178.68 1.25 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 108.26 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.733 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.6 Cg_endo -74.89 -174.09 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.424 1.75 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.733 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.05 114.98 4.15 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.455 1.766 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.517 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 153.13 -56.36 0.43 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.572 1.17 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.664 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 40.5 mp0 -66.97 104.6 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 0.73 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -84.49 5.38 27.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -172.85 -170.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.226 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 1.01 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.2 -170.21 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 108.263 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.0 p90 -168.54 167.21 11.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.715 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.23 99.52 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.709 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.89 156.51 23.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.87 152.28 34.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.973 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.39 -101.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 107.996 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.631 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.71 120.21 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 108.334 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.546 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 43.2 t0 -49.14 178.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.31 -1.13 14.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.1 m-85 -118.11 -13.5 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.659 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 1.9 t 36.26 60.58 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 108.352 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.2 m -67.45 175.89 2.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m -67.44 -6.68 20.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.77 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 6.1 mmm180 -71.34 3.73 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.03 -126.16 7.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.973 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -97.72 -168.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.548 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -104.95 -162.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.927 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.44 76.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.683 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -91.46 69.56 5.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.272 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.938 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -67.18 -177.82 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.43 -147.29 14.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.991 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.4 m -111.96 154.08 25.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.4 145.31 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.379 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.592 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -53.2 -47.24 69.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.592 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 27.1 p -160.47 161.47 32.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.83 97.54 0.12 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 108.291 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 1.02 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.6 Cg_endo -74.97 -4.64 15.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.564 1.823 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.02 138.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.989 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.865 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.35 -114.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.865 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -156.75 -52.39 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.715 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.96 -106.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.395 1.734 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.887 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.07 -53.1 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.731 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -37.0 73.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.887 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -87.11 90.41 8.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.248 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 1.02 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.01 158.34 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.95 -146.32 0.32 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.516 1.135 . . . . 0.0 110.477 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.3 m -152.56 171.84 17.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.323 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.94 115.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 108.33 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p -110.21 -34.28 6.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.78 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.27 166.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.395 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.15 102.46 3.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.48 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 31.9 mttt 66.88 51.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.208 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -99.82 27.51 5.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 108.33 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.996 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.28 9.8 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.996 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -74.9 68.67 5.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 1.157 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -38.09 157.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.617 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.96 104.36 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.376 1.724 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 1.157 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -159.67 -38.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.61 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 43.5 mt-30 -62.31 59.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.639 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -98.14 -49.48 0.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.625 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.6 Cg_endo -74.93 159.61 41.36 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.557 1.819 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . 0.536 ' N ' ' C ' ' B' ' 14' ' ' ASP . 2.2 t60 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.693 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER 177.11 165.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.952 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -115.32 50.01 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.77 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.1 m-85 -59.1 -164.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.6 OUTLIER -107.12 38.18 2.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.616 1.197 . . . . 0.0 110.283 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' SER . . . . . 0.426 ' HB3' ' NE ' ' A' ' 36' ' ' ARG . 32.8 t -153.05 6.09 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 110.028 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.779 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 1.3 t -179.21 162.13 1.17 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.108 . . . . 0.0 109.975 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.627 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -126.34 -23.71 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.476 ' C ' ' H ' ' B' ' 11' ' ' TRP . 2.2 mm-40 -83.08 143.21 45.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.5 ' CB ' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -74.97 36.99 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.433 1.754 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' TRP . . . . . 0.685 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -136.46 -37.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 107.984 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.785 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.5 m-85 -96.93 -30.67 0.26 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.785 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -74.93 -43.99 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.545 1.813 . . . . 0.0 111.044 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.536 ' C ' ' N ' ' B' ' 1' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.348 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 25.8 pt . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.626 HG13 ' N ' ' A' ' 15' ' ' THR . 2.5 t -124.08 153.99 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 1.006 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.79 149.74 35.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 0.0 108.271 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.881 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.6 m-70 -84.33 145.68 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 109.607 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.44 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.3 p -113.09 114.75 27.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.405 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.879 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.23 -24.43 14.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.572 1.17 . . . . 0.0 110.484 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -77.5 -50.66 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.44 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -72.95 -104.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.399 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.14 -161.27 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.582 1.176 . . . . 0.0 110.036 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.97 -55.13 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.421 1.748 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.901 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.1 OUTLIER 165.9 100.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.27 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.6 p -151.26 139.99 20.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.969 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.881 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.25 100.08 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.502 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.5 128.3 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.626 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.3 m -47.37 143.27 3.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 0.0 110.461 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.97 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.0 177.61 1.5 Allowed Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.537 1.148 . . . . 0.0 108.303 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.713 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.98 -174.54 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.713 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 17.9 Cg_endo -75.1 116.11 4.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.536 1.809 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.498 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.75 -57.09 0.43 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.63 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 37.6 mp0 -67.17 105.65 1.77 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 0.773 . . . . 0.0 110.277 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -85.19 6.01 27.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.22 -170.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 1.006 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -104.04 -170.52 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.7 p90 -167.56 167.84 13.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.386 1.054 . . . . 0.0 111.068 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.695 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.79 98.65 3.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.253 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.713 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.36 155.44 24.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.7 mtt -149.75 149.27 30.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.95 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -165.58 -101.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.659 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.78 119.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 108.224 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 44.7 t0 -48.26 175.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.506 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -70.58 -2.28 13.72 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.422 1.076 . . . . 0.0 109.218 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' CYS . 4.5 m-85 -117.9 -12.73 10.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.624 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.3 t 38.4 60.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.6 m -59.17 175.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.8 m -74.26 -0.86 18.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.745 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 2.3 mmp_? -79.2 5.69 11.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.347 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.79 -125.93 7.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 111.059 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.95 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.7 OUTLIER -97.13 -168.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.563 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.79 -161.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.954 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.75 77.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.684 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.2 mt-10 -92.08 67.85 5.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.585 1.178 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.927 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.1 -176.92 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.27 -147.43 15.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.97 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 6.6 m -111.97 154.79 24.75 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.35 144.16 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.593 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -52.18 -46.91 65.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.593 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 27.4 p -160.38 163.15 33.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.421 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -35.72 97.85 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 108.301 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 1.044 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -4.58 15.62 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.328 1.699 . . . . 0.0 110.951 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.561 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -24.98 139.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 109.95 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.85 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.97 -114.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.6 1.187 . . . . 0.0 109.266 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.85 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 1.8 mptt -156.33 -52.44 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.72 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.95 -106.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.451 1.764 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.907 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.15 -52.45 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.733 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.0 mt-10 -37.4 72.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.232 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.907 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -86.65 90.36 8.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 1.044 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.84 158.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.55 -145.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.47 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 10.4 m -152.88 171.95 17.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 108.333 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.77 114.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.409 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 6.9 p -109.75 -35.18 6.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.783 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.68 165.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.544 1.152 . . . . 0.0 110.356 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.01 103.3 3.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 109.252 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' HG2' ' CB ' ' A' ' 13' ' ' ALA . 32.7 mttt 66.41 50.41 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.41 27.25 5.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 108.315 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.991 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.24 11.24 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.991 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.98 70.17 5.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 1.082 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 2.5 p80 -37.27 156.87 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.554 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.687 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 17.9 Cg_endo -75.01 103.15 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.513 1.797 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 1.082 ' CD ' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -163.31 -40.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.769 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 34.1 mt-30 -53.53 80.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.595 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -166.69 134.21 2.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 116.69 4.66 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 0.0 111.052 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . 0.556 ' N ' ' C ' ' B' ' 14' ' ' ASP . 11.5 t60 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.658 ' NH1' ' CE2' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -160.89 172.45 16.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.175 . . . . 0.0 110.254 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.879 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -117.57 41.38 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.745 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.1 m-85 -56.5 175.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.389 1.056 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -88.76 40.33 0.97 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 36.2 t -143.29 -12.22 0.72 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.606 1.191 . . . . 0.0 110.088 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.638 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 41.5 t -170.37 170.63 7.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.66 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.4 tm? -126.09 -26.36 3.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' B' ' 11' ' ' TRP . 17.9 mm-40 -81.17 144.88 55.11 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 110.351 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.528 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -74.99 26.86 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.517 1.799 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' TRP . . . . . 0.584 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.2 OUTLIER -125.38 -37.54 2.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 108.064 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.736 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 6.5 m-85 -95.09 -35.83 0.28 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.736 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.5 Cg_endo -75.08 -38.05 1.72 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.556 ' C ' ' N ' ' B' ' 1' ' ' HIS . 2.1 t70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 15' ' ' THR . 27.2 pt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.642 HG13 ' N ' ' A' ' 15' ' ' THR . 2.9 t -122.94 153.05 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.982 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.32 149.45 36.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 108.269 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.85 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.3 m-70 -84.56 145.73 27.91 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.385 1.053 . . . . 0.0 109.703 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.411 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -111.89 115.04 28.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.373 1.046 . . . . 0.0 110.375 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.967 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.29 -18.35 14.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.603 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -83.91 -49.82 8.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.411 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -74.03 -103.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.349 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.96 -161.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.0 Cg_endo -75.07 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.765 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 165.99 102.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.2 p -152.71 139.23 18.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.923 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.85 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.96 102.38 7.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.348 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.546 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -130.33 126.72 61.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 0.0 109.257 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.642 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.3 m -47.95 142.25 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.175 . . . . 0.0 110.351 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.996 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.28 178.28 1.41 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.318 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.742 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.0 Cg_endo -75.15 -173.5 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.742 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.07 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.503 1.791 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.519 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 154.91 -57.27 0.4 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.639 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.0 mp0 -66.95 103.89 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -83.6 6.49 20.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -174.42 -171.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.982 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -102.99 -169.5 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.193 . . . . 0.0 108.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.557 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.2 p90 -168.59 167.5 11.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.595 1.184 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.715 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.58 99.05 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.233 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.708 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.39 156.31 24.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -149.77 152.73 35.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.949 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.17 -100.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.643 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.47 118.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.147 . . . . 0.0 108.273 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.569 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 46.2 t0 -47.2 175.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.06 -0.39 9.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.376 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.6 m-85 -121.39 -10.91 8.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.58 1.175 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.607 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.4 t 38.27 61.79 1.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 108.302 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -61.33 175.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.5 m -73.02 -3.36 25.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.965 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.795 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.0 mmp_? -77.07 6.68 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.49 -125.26 7.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.113 . . . . 0.0 111.063 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.949 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -97.26 -168.93 1.77 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.481 0.754 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.569 ' CG2' ' N ' ' A' ' 30' ' ' ASP . 1.9 t -103.5 -163.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.926 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -152.93 76.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.687 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.1 mt-10 -91.42 68.56 5.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.915 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.41 -178.08 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.371 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.83 -146.69 13.46 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.996 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.1 m -112.54 154.88 25.27 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.402 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.69 144.6 4.29 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.58 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -52.33 -47.46 66.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.58 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 25.1 p -160.1 162.61 34.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.7 97.71 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.265 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 1.023 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -74.99 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.573 1.828 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.56 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.07 139.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.971 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.841 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.9 -115.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.841 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.08 -52.4 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.722 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -75.01 -106.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.432 1.754 . . . . 0.0 110.993 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.887 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.35 -53.64 5.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.734 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -36.08 73.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.887 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -86.98 89.83 8.13 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.6 1.187 . . . . 0.0 110.294 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 1.023 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.4 157.96 3.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.34 -145.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.5 m -153.49 172.38 17.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 108.306 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.162 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.15 114.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 108.269 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.402 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 14.7 p -109.09 -35.19 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.08 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.785 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.47 165.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.374 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.97 102.66 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.4 mttm 67.14 50.56 0.99 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.61 1.194 . . . . 0.0 109.306 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 1.162 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.89 27.23 5.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.997 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.84 9.54 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.997 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -75.01 69.2 5.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.544 1.812 . . . . 0.0 110.984 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 1.106 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -37.42 157.72 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.581 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.654 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.1 Cg_endo -75.06 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.41 1.742 . . . . 0.0 110.94 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 1.106 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.53 -44.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.54 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 46.7 mt-30 -56.48 83.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.684 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . 1.8 ttt-85 -143.97 -61.47 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.684 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.3 Cg_endo -75.01 61.23 5.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.772 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' B' ' 9' ' ' GLU . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.536 1.147 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . 0.526 ' N ' ' C ' ' B' ' 14' ' ' ASP . 13.4 t-80 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.673 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -159.52 167.2 29.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.967 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.89 49.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 1.07 . . . . 0.0 111.069 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.795 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -58.53 -166.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.92 40.1 1.65 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 38.4 t -146.64 -10.83 0.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.44 1.088 . . . . 0.0 110.065 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.611 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 29.1 t -167.34 170.82 11.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.632 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.6 tm? -129.44 -18.38 3.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' B' ' 11' ' ' TRP . 5.2 mm-40 -86.08 143.48 37.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.516 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.03 29.3 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' TRP . . . . . 0.599 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.6 t90 -126.8 -37.96 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 108.019 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.737 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 49.3 m-85 -94.54 -35.53 0.3 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.737 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.7 Cg_endo -74.92 -40.38 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.767 . . . . 0.0 111.061 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.526 ' C ' ' N ' ' B' ' 1' ' ' HIS . 2.2 t0 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 27.5 pt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.614 HG13 ' N ' ' A' ' 15' ' ' THR . 3.1 t -123.79 156.02 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.998 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.75 150.44 37.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 108.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.874 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.0 m-70 -84.96 146.95 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.435 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.3 p -114.51 115.15 26.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.884 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.22 -24.53 14.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.337 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.514 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -77.57 -51.2 11.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.435 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -72.3 -104.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.472 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.85 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.1 -161.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.978 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.85 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.95 -54.83 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.504 1.791 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.918 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.1 OUTLIER 165.79 100.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.423 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.6 p -152.69 141.16 20.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.874 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.58 99.86 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.523 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -125.78 127.45 71.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.614 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.8 m -47.01 142.92 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.454 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.976 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.86 177.65 1.46 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 108.299 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.719 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.4 Cg_endo -75.0 -174.32 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.719 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -75.11 117.26 4.82 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.527 1.803 . . . . 0.0 110.969 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.528 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 151.28 -57.22 0.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.658 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 3.7 mp0 -66.12 104.45 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 110.326 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -85.11 9.32 15.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.769 HD11 ' SG ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -176.48 -168.28 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.632 1.208 . . . . 0.0 109.252 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.998 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -106.38 -170.76 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 108.345 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.537 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 17.3 p90 -166.35 168.06 15.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.696 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -137.48 100.39 4.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.687 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -84.45 155.38 22.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.335 1.022 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.457 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.6 mtt -149.54 150.24 31.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.97 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.26 -101.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 108.112 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.655 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.09 120.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.51 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 45.1 t0 -48.99 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.51 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -69.89 -3.03 14.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.474 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.7 m-85 -115.28 -14.14 11.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 111.043 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.657 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 1.7 t 35.59 61.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.384 1.052 . . . . 0.0 108.364 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.7 m -67.28 176.58 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -68.72 -5.4 20.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.755 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 5.3 mmm180 -72.6 2.7 5.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.402 ' C ' ' HD3' ' A' ' 38' ' ' LYS . . . 86.33 -127.03 8.13 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.444 1.09 . . . . 0.0 111.017 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.97 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.3 OUTLIER -97.34 -168.62 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 0.799 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.548 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -105.7 -162.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.948 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.29 77.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.539 1.149 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.687 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.4 mt-10 -92.31 67.77 4.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 110.272 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.92 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -65.58 -175.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.502 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 156.57 -148.3 18.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.559 1.162 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . 0.976 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 8.4 m -110.14 155.75 21.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.464 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -171.5 143.52 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.373 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.59 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -51.31 -46.73 62.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.59 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 40.6 p -159.76 161.61 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.856 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.9 OUTLIER -37.68 99.28 0.18 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.592 1.183 . . . . 0.0 108.326 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 1.009 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.08 0.89 8.39 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.409 1.742 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.546 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -26.87 140.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.839 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -95.25 -114.15 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.839 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -155.99 -52.87 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.727 ' HD3' ' HB2' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.0 -106.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.909 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -82.79 -52.88 6.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 111.052 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.701 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -37.39 72.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.909 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.1 OUTLIER -86.81 88.5 7.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.188 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 1.009 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.15 158.42 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.466 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 1.3 m -131.76 -154.43 0.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' CYS . . . . . 0.856 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 1.2 m -141.43 176.64 8.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 108.27 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 176.63 112.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.097 . . . . 0.0 108.289 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.467 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 8.7 p -109.0 -36.09 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 109.927 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.778 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -47.67 162.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.366 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.74 104.14 1.58 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.218 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.504 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 17.8 mttm 64.1 51.24 2.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.7 p -98.45 26.95 5.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 108.368 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.992 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.84 11.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.992 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -74.93 70.53 5.22 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 1.086 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 2.4 p80 -37.68 156.41 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.551 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.696 ' C ' ' HD3' ' A' ' 70' ' ' LYS . 18.1 Cg_endo -75.06 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.569 1.826 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 1.086 ' CD ' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -163.29 -39.78 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.682 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 34.0 mt-30 -52.26 80.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 70' ' ' LYS . 2.3 ttm-85 -165.49 132.19 2.18 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.492 ' HA ' ' CE2' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.89 114.19 3.97 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.51 1.795 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.917 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' HIS . . . . . 0.55 ' HA ' ' HA ' ' B' ' 10' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' ARG . . . . . 0.659 ' NH1' ' CE2' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -158.99 173.69 16.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.884 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -118.4 40.3 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' TYR . . . . . 0.755 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.2 m-85 -54.47 177.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 2.3 pt-20 -91.53 34.48 0.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' SER . . . . . 0.488 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 36.0 t -138.58 -6.84 1.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.644 1.215 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.629 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 42.2 t -174.52 170.48 3.5 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.459 1.099 . . . . 0.0 109.93 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.667 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.4 tm? -126.96 -26.4 3.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' B' ' 11' ' ' TRP . 5.0 mm-40 -81.31 145.13 55.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' PRO . . . . . 0.55 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.02 26.32 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' TRP . . . . . 0.584 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.8 t-105 -124.89 -37.72 2.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 108.026 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.734 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 7.7 m-85 -94.56 -36.13 0.3 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' PRO . . . . . 0.734 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -75.0 -38.72 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ASP . . . . . 0.546 ' C ' ' N ' ' B' ' 1' ' ' HIS . 2.8 t0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.474 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 28.7 pt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.63 HG13 ' N ' ' A' ' 15' ' ' THR . 3.6 t -125.61 158.3 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -146.53 150.18 35.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 108.332 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.864 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 23.1 m-70 -84.3 147.61 27.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -113.05 114.3 26.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.932 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.15 -16.71 15.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.568 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -85.19 -49.56 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.89 -104.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.359 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.848 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -62.81 -161.64 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.848 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.7 Cg_endo -74.97 -54.53 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.468 1.773 . . . . 0.0 111.081 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.777 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 166.23 103.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 109.365 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.421 ' O ' HG13 ' A' ' 14' ' ' VAL . 51.8 p -154.76 139.58 17.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.6 1.188 . . . . 0.0 109.934 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.864 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.77 99.03 4.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.537 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.05 127.99 71.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.226 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.63 ' N ' HG13 ' A' ' 2' ' ' VAL . 9.4 m -48.25 141.98 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.984 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.91 178.6 1.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.724 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.91 -174.21 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.532 1.807 . . . . 0.0 111.058 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.724 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 115.78 4.39 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.517 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.0 -55.96 0.45 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.453 1.095 . . . . 0.0 110.966 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.659 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 33.4 mp0 -66.42 105.33 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 0.746 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -86.14 7.18 25.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -174.66 -170.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -104.14 -171.58 1.96 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 108.243 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 19.1 p90 -166.9 167.93 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.955 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.717 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -136.83 98.78 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.361 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.711 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.31 155.98 24.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.6 mtt -149.87 149.44 30.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.966 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.16 -101.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.657 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.69 119.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 108.218 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.512 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 40.8 t0 -48.21 178.04 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.66 -0.76 13.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.398 1.061 . . . . 0.0 109.252 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.5 m-85 -119.71 -11.86 9.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.62 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 4.0 t 37.5 59.14 1.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.8 m -59.51 176.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.046 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -73.04 -2.42 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.942 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.803 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -76.99 3.8 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.239 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.94 -124.18 7.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.966 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -97.95 -168.86 1.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 0.74 . . . . 0.0 109.371 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.55 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.68 -162.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.927 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.5 75.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.66 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.7 mt-10 -90.13 68.28 7.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.931 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.68 -179.34 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.231 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.496 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.58 -146.75 13.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.984 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 4.8 m -112.15 155.32 24.12 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.77 144.92 4.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.598 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -52.84 -46.96 68.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.224 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.598 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 23.7 p -160.57 162.47 32.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.442 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.84 97.66 0.13 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.36 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.036 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -74.95 -4.57 15.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.45 1.763 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.11 139.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.923 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.841 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.85 -114.93 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.841 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -155.93 -52.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.718 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.2 Cg_endo -75.0 -107.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.792 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.894 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.4 p90 -82.39 -53.13 6.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.74 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.6 mt-10 -36.63 72.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.894 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -87.08 90.57 8.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 110.23 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 1.036 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.6 t -98.43 158.03 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.233 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.57 -145.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.587 1.179 . . . . 0.0 110.386 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.3 m -153.16 171.98 17.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.374 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.95 114.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 108.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.474 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 24.6 p -110.02 -34.52 6.39 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.783 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.3 165.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.7 103.54 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.489 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.8 mttm 65.31 50.99 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.36 27.34 5.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 108.291 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 1.0 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.78 9.57 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 1.0 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.95 69.42 5.51 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.4 1.737 . . . . 0.0 111.042 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.132 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.7 p80 -37.83 158.04 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.571 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.649 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -74.98 104.59 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.522 1.801 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 1.132 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.99 -40.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.758 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 40.2 mt-30 -57.05 78.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.371 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 70' ' ' LYS . 46.2 ttt180 -167.96 141.27 2.69 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.455 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.3 Cg_endo -75.04 108.75 2.79 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.563 1.164 . . . . 0.0 110.985 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.563 ' N ' ' C ' ' B' ' 14' ' ' ASP . 3.4 t-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.673 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -172.6 168.11 5.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.932 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.72 49.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.602 1.189 . . . . 0.0 110.999 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.803 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.4 m-85 -58.8 -165.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.51 39.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.274 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' SER . . . . . 0.429 ' CB ' ' NE ' ' A' ' 36' ' ' ARG . 13.0 t -148.68 -4.61 0.44 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.643 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 15.6 t -173.09 166.89 4.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.641 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -125.83 -23.17 4.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.093 . . . . 0.0 109.359 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.504 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.0 mm-40 -83.4 144.04 45.71 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -74.92 24.88 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.579 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.3 t-105 -124.65 -34.5 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.741 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.2 m-30 -96.68 -35.75 0.27 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.741 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.1 Cg_endo -75.01 -37.47 2.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.602 1.843 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.563 ' C ' ' N ' ' B' ' 1' ' ' HIS . 2.2 t0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.233 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 32.2 pt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.65 HG13 ' N ' ' A' ' 15' ' ' THR . 3.2 t -127.09 155.79 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.003 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.83 149.93 36.26 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 108.286 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.835 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.8 m-70 -84.78 145.87 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.556 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.402 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -111.41 114.58 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.938 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.53 -16.11 15.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.449 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -86.11 -49.01 8.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.402 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -74.97 -103.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.854 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.55 -161.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.854 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.97 -54.62 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.498 1.789 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.767 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 165.98 103.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.9 p -154.09 138.95 17.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.039 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.835 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.68 99.97 5.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.625 1.203 . . . . 0.0 109.256 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.54 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.66 127.13 68.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.65 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.3 m -48.05 142.56 5.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.002 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.63 178.42 1.35 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 108.333 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.742 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.6 Cg_endo -74.89 -173.63 1.62 Allowed 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.742 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 114.31 4.0 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.359 1.715 . . . . 0.0 111.055 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.527 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 153.44 -56.34 0.43 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.669 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 12.9 mp0 -66.57 103.71 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.594 0.82 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.4 m120 -83.98 5.76 24.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -173.65 -171.37 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.003 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.06 -170.8 1.84 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 0.0 108.282 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.556 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.4 p90 -167.79 167.29 13.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.71 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.27 98.93 3.97 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.549 1.156 . . . . 0.0 110.346 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.71 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.5 156.14 24.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.453 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.13 150.81 32.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.965 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.27 -101.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 107.997 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.657 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.41 118.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 108.337 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.504 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 42.3 t0 -47.07 177.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.64 -0.65 13.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.6 m-85 -120.72 -10.21 9.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.604 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.1 t 37.1 62.43 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.9 m -60.55 175.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.68 ' CB ' HH21 ' A' ' 36' ' ' ARG . 47.4 m -72.8 -4.73 33.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.765 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.1 mmp_? -76.04 5.51 6.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.05 -124.59 7.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.614 1.196 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.965 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -97.08 -169.41 1.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.235 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.558 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.42 -161.73 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.921 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.93 76.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.661 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.8 mt-10 -90.62 68.33 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.926 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.54 -178.34 0.68 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.422 1.076 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.65 -146.91 13.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 1.002 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.1 m -112.14 155.13 24.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.46 144.93 4.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.402 1.064 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.589 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -52.71 -47.58 67.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.589 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 25.1 p -160.35 161.07 33.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.627 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.03 97.68 0.12 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 108.303 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.026 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.98 -5.06 16.32 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.446 1.761 . . . . 0.0 110.992 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.56 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -24.86 139.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.851 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.91 -114.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.371 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.851 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.29 -52.35 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.07 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.724 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.94 -106.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.901 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.25 -53.67 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.729 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -36.14 72.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.901 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -86.46 90.71 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 1.026 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.4 t -98.56 158.11 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -127.4 -144.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.627 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.3 m -154.36 171.86 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 108.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.76 114.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.338 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.41 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 18.9 p -110.25 -33.88 6.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.153 . . . . 0.0 110.056 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.788 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.64 166.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.385 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.68 103.33 3.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.482 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.2 mttm 65.53 51.2 1.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.593 1.183 . . . . 0.0 109.308 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -99.78 27.39 5.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 108.31 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.999 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.16 9.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.999 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.94 69.66 5.44 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.452 1.764 . . . . 0.0 111.098 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.124 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.9 p80 -38.32 158.11 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.629 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.651 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -75.04 104.81 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 111.05 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 1.124 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.87 -41.05 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 109.263 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.658 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 38.9 mt-30 -54.56 79.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.325 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -164.58 132.78 2.61 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.38 3.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.942 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.52 ' N ' ' C ' ' B' ' 14' ' ' ASP . 28.6 t-80 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.688 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -166.0 167.49 16.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.938 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.15 49.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.765 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -59.39 -166.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.935 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.5 39.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.72 -3.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.646 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 18.8 t -174.18 167.03 4.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.911 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.642 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.6 tm? -126.58 -23.11 3.81 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.6 mm-40 -83.73 145.03 46.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.356 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.49 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -74.95 24.07 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.415 1.745 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.598 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.3 OUTLIER -123.33 -38.18 2.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 108.077 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.74 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 7.0 m-85 -92.79 -35.91 0.34 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.74 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.5 Cg_endo -74.88 -37.97 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.522 1.801 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.52 ' C ' ' N ' ' B' ' 1' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 28.0 pt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.619 HG13 ' N ' ' A' ' 15' ' ' THR . 3.4 t -125.48 156.11 34.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.054 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.4 m -144.92 149.58 35.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.848 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.2 m-70 -83.14 146.61 28.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.403 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -112.2 114.62 27.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.349 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.943 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.24 -17.31 15.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.426 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.74 -49.08 8.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.403 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -75.0 -104.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.852 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.14 -161.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.071 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.852 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.97 -55.25 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.477 1.778 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.798 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 166.88 103.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.243 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.433 ' O ' HG13 ' A' ' 14' ' ' VAL . 52.5 p -156.01 138.84 15.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.848 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -75.48 98.59 3.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.508 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.3 128.15 71.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.619 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.1 m -47.22 142.75 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.801 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -99.37 178.85 1.17 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.573 1.171 . . . . 0.0 108.318 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.714 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -74.99 -174.67 2.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 0.0 111.029 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.714 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 118.69 5.36 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.487 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 149.13 -55.03 0.49 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.619 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 37.3 mp0 -67.71 106.64 2.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.589 0.817 . . . . 0.0 110.243 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -87.01 5.2 38.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -172.06 -171.35 0.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.054 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.8 m -103.02 -171.7 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.555 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 19.2 p90 -167.24 167.9 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.709 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.99 98.97 3.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.705 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.46 155.82 24.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.385 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.62 149.34 30.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.971 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.47 -101.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.143 . . . . 0.0 107.969 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.659 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.46 121.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 108.329 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.549 ' OD1' ' NE ' ' B' ' 2' ' ' ARG . 42.3 t0 -49.61 178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.02 -1.4 14.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.6 m-85 -116.97 -14.8 10.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.951 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.674 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 1.7 t 35.51 60.58 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 108.329 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.4 m -72.8 177.06 5.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.427 ' C ' ' H ' ' A' ' 37' ' ' GLY . 11.1 m -64.25 -9.5 17.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.034 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.74 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 9.5 mmm180 -67.65 1.49 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.427 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 84.23 -129.37 9.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.42 1.075 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.971 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -96.01 -168.2 1.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.55 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -106.45 -162.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.925 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.22 76.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.349 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.66 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.7 mt-10 -90.33 68.98 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.935 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.89 -176.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.193 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 156.45 -148.36 18.17 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.582 1.176 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.845 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 25.9 m -111.27 154.06 25.02 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.4 ' HA ' ' HG3' ' A' ' 20' ' ' GLU . . . -166.03 144.75 5.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.303 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.591 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -51.79 -48.03 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.591 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 23.3 p -160.4 161.59 33.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.54 97.45 0.11 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.03 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.4 Cg_endo -74.97 -4.82 15.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.473 1.775 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.564 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -24.82 139.61 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.863 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.41 -114.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.863 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.61 -52.44 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.715 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.9 -107.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.559 1.821 . . . . 0.0 110.988 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.906 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.51 -53.18 6.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.743 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.7 mt-10 -36.52 72.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.906 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -86.25 89.64 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 1.03 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.65 157.99 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.8 -146.22 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 13.1 m -152.46 172.35 16.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 108.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.202 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.52 115.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 108.394 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.471 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 33.6 p -110.58 -35.26 6.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.92 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.775 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.83 165.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.434 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.87 104.48 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.336 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 38.0 mttt 64.47 51.32 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.202 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.88 27.41 5.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 108.258 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.997 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.11 10.12 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.997 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -74.9 69.29 5.5 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.45 1.763 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.141 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.9 p80 -38.24 157.78 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.633 1.208 . . . . 0.0 109.684 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.651 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.98 105.12 2.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.812 . . . . 0.0 111.059 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 1.141 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -160.44 -40.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.399 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.627 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 41.1 mt-30 -54.91 79.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' A' ' 70' ' ' LYS . 3.2 ttt180 -163.28 133.03 3.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 114.36 4.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.956 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.54 ' N ' ' C ' ' B' ' 14' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.686 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -164.82 167.94 18.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.083 . . . . 0.0 110.299 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.943 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.58 48.5 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 111.052 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.74 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.5 m-85 -56.37 -165.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 6.4 pt-20 -107.07 34.47 3.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 1.18 . . . . 0.0 110.363 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' SER . . . . . 0.425 ' HB3' ' NE ' ' A' ' 36' ' ' ARG . 40.8 t -145.18 -0.35 0.88 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.681 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 14.3 t -175.0 166.44 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.092 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.645 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -127.26 -24.26 3.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.621 1.201 . . . . 0.0 109.329 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.506 ' C ' ' H ' ' B' ' 11' ' ' TRP . 5.7 mm-40 -81.85 144.8 52.46 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.488 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.3 Cg_endo -75.02 25.12 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.604 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 3.8 t-105 -125.22 -37.74 2.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.741 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.6 m-85 -93.03 -35.53 0.33 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.741 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.93 -39.5 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.542 1.812 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.54 ' C ' ' N ' ' B' ' 1' ' ' HIS . 6.7 t70 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 109.239 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 32.6 pt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.645 HG13 ' N ' ' A' ' 15' ' ' THR . 3.3 t -126.69 155.07 37.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.23 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.007 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.6 150.58 37.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.15 . . . . 0.0 108.342 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.845 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.5 m-70 -85.82 145.99 26.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.607 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.408 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -111.69 115.08 28.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.437 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.951 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.74 -17.34 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.614 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.77 -49.49 8.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.408 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.8 OUTLIER -74.43 -103.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.43 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.855 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.81 -161.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.045 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.855 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.95 -54.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.05 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.752 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 166.02 103.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.3 p -153.16 138.68 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.845 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.11 100.72 5.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.548 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -128.96 127.16 65.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.195 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.645 ' N ' HG13 ' A' ' 2' ' ' VAL . 8.6 m -48.15 142.21 5.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.012 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.12 178.46 1.36 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 108.188 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.745 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.98 -173.4 1.55 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.425 1.75 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.745 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.0 114.58 4.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.507 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 153.34 -56.29 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.667 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 7.7 mp0 -67.37 103.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -83.41 5.62 22.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.3 -171.36 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.411 1.069 . . . . 0.0 109.311 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.007 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.34 -170.01 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 108.415 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 19.2 p90 -168.3 167.84 11.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.712 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.69 98.58 3.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.085 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.714 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -81.97 156.23 24.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -150.12 151.51 33.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.951 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.78 -100.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.059 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.678 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -178.26 117.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 108.339 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 46.7 t0 -48.66 175.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.511 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -69.93 -2.08 11.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.7 m-85 -117.01 -13.04 10.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.598 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 4.6 t 37.71 60.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 108.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.8 m -59.86 174.36 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.936 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 m -71.66 -4.36 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.941 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.742 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.3 mmp_? -76.1 5.94 6.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.42 -125.29 7.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.951 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -96.5 -169.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.55 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.11 -162.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.919 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.51 76.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.368 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.682 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 2.9 mt-10 -91.4 68.07 5.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 110.267 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.927 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -65.86 -177.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.38 -146.85 13.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 1.012 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.8 m -112.37 155.24 24.48 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.438 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.81 144.55 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.578 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -52.41 -47.82 66.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.578 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 23.9 p -160.06 161.26 33.88 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.37 97.65 0.12 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.24 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.018 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -74.99 -5.26 16.58 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.577 1.83 . . . . 0.0 111.076 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -24.1 139.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.056 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.844 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.64 -114.77 0.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.435 1.084 . . . . 0.0 109.255 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.844 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.03 -52.65 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.722 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -74.85 -106.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.901 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.76 -53.26 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.734 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.8 mt-10 -36.54 72.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.901 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -86.58 90.08 8.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 110.259 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 1.018 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.4 t -97.48 158.41 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.5 m -127.78 -145.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.2 m -153.54 172.04 17.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 108.306 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.6 114.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 108.325 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.411 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 6.4 p -110.4 -34.38 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.09 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.49 165.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.431 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.19 103.82 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.481 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 38.7 mttt 65.2 51.0 1.7 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.542 1.152 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.78 27.34 5.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.232 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 1.0 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.99 9.48 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 1.0 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.87 69.66 5.39 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.534 1.807 . . . . 0.0 111.065 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.12 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.7 p80 -38.2 158.13 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.506 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.663 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -75.0 104.65 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.557 1.819 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 1.12 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.2 -41.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.645 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 40.4 mt-30 -55.56 80.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 70' ' ' LYS . 51.4 ttp180 -168.85 140.54 2.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.318 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.442 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -75.11 112.72 3.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.478 1.112 . . . . 0.0 110.946 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.516 ' N ' ' C ' ' B' ' 14' ' ' ASP . 8.0 t60 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.698 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -162.16 168.34 22.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.614 1.196 . . . . 0.0 110.242 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.951 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.63 49.87 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.742 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -59.88 -166.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.513 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.36 38.94 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' SER . . . . . 0.455 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 33.1 t -146.4 -5.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.621 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 13.5 t -172.99 169.05 4.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.914 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.646 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -127.87 -21.34 3.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' B' ' 11' ' ' TRP . 1.3 mt-10 -85.27 144.53 41.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.501 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -74.99 26.0 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.599 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.3 OUTLIER -124.64 -37.41 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.0 m-85 -94.31 -35.49 0.3 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.92 -38.97 1.39 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.545 1.813 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.516 ' C ' ' N ' ' B' ' 1' ' ' HIS . 3.5 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.472 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 30.1 pt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.589 HG13 ' N ' ' A' ' 15' ' ' THR . 2.9 t -124.75 157.15 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.066 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.7 m -146.06 149.87 34.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.855 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.8 m-70 -83.33 147.68 27.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.624 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.409 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -113.32 114.44 26.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.952 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.1 -16.88 15.63 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.544 1.152 . . . . 0.0 110.378 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -85.2 -49.2 8.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.409 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -74.86 -104.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.354 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.852 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.07 -161.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.852 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.95 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.799 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 166.49 104.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.417 ' O ' HG13 ' A' ' 14' ' ' VAL . 51.4 p -157.01 139.78 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.855 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.14 97.83 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.477 ' C ' HG13 ' A' ' 2' ' ' VAL . 1.0 OUTLIER -124.61 129.5 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.589 ' N ' HG13 ' A' ' 2' ' ' VAL . 5.1 m -48.16 143.08 4.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.369 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.795 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.5 178.99 1.1 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.378 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.698 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.1 Cg_endo -75.01 -175.15 2.22 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.57 1.826 . . . . 0.0 110.974 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.698 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.5 Cg_endo -75.05 118.81 5.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.571 1.827 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.513 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 149.22 -55.67 0.49 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.635 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 36.7 mp0 -66.49 106.1 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 0.817 . . . . 0.0 110.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.4 m120 -86.68 5.29 36.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -172.23 -171.55 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.066 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.8 m -102.54 -172.22 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 108.24 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.9 p90 -167.03 167.52 14.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.711 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.49 99.27 4.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.716 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.86 157.05 23.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.226 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.487 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.35 152.95 35.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.596 1.185 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.974 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.58 -101.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 107.967 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.652 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.36 121.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 108.239 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.55 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 42.4 t0 -49.42 177.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.85 -1.65 14.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.3 m-85 -116.93 -13.94 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 1.9 t 35.45 60.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 108.282 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.0 m -71.52 175.9 5.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.419 ' C ' ' H ' ' A' ' 37' ' ' GLY . 14.0 m -64.68 -8.8 15.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.736 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 8.7 mmm180 -68.25 1.53 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.419 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 85.09 -127.94 8.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.974 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -97.05 -169.12 1.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 0.76 . . . . 0.0 109.355 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -105.05 -163.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.923 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -152.45 77.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 0.0 109.23 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.677 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -92.62 70.11 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.925 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -67.25 -176.7 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.381 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.479 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 156.86 -148.96 19.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.377 1.048 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 23.9 m -110.94 153.54 25.37 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.414 ' N ' ' HB3' ' A' ' 20' ' ' GLU . . . -165.61 145.64 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.353 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.595 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -52.72 -47.83 67.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.595 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 23.9 p -160.58 162.16 32.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.509 1.131 . . . . 0.0 110.468 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.625 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.91 97.11 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.322 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.023 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.4 Cg_endo -74.88 -4.65 15.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.521 1.8 . . . . 0.0 111.049 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.558 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -25.3 139.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.927 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.849 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.19 -114.62 0.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.849 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -156.17 -52.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.392 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.716 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.1 Cg_endo -75.0 -107.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.898 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.51 -52.96 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.737 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.0 mt-10 -36.91 72.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.898 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -86.76 90.42 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 110.233 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 1.023 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.29 158.18 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.344 1.028 . . . . 0.0 109.284 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.74 -146.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.456 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.625 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.8 m -152.64 172.29 16.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 108.252 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.204 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 178.82 115.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.456 1.097 . . . . 0.0 108.381 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.472 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 24.7 p -109.63 -35.09 6.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.79 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.44 164.01 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.44 103.13 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.47 ' HG2' ' CB ' ' A' ' 13' ' ' ALA . 72.0 mttt 66.63 50.32 1.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.373 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.204 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.7 p -99.91 28.45 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.331 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.994 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.88 10.44 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.994 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.99 69.6 5.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.135 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -38.37 158.27 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.65 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.635 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.5 Cg_endo -74.91 104.18 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.536 1.808 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 1.135 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.5 -40.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.721 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 36.9 mt-30 -56.47 78.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.411 1.069 . . . . 0.0 110.349 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 70' ' ' LYS . 55.9 ttt180 -167.36 141.38 3.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -75.03 112.72 3.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.436 1.756 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.54 ' N ' ' C ' ' B' ' 14' ' ' ASP . 13.1 t-80 . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.68 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -169.48 167.87 9.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.135 . . . . 0.0 110.411 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.952 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.61 48.16 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.736 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.6 m-85 -56.15 -165.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 7.0 pt-20 -106.57 32.25 4.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' SER . . . . . 0.515 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 17.7 t -142.2 -0.24 1.29 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.674 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 31.0 t -176.18 167.53 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.648 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.4 tm? -126.6 -27.31 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' B' ' 11' ' ' TRP . 4.6 mm-40 -79.39 144.12 61.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.471 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -74.94 24.78 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.604 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.9 OUTLIER -123.33 -38.43 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 107.994 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.6 m-30 -93.65 -35.48 0.32 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.99 -37.25 2.11 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.497 1.788 . . . . 0.0 111.054 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.54 ' C ' ' N ' ' B' ' 1' ' ' HIS . 2.7 t0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 28.2 pt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.638 HG13 ' N ' ' A' ' 15' ' ' THR . 3.3 t -125.74 157.36 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.011 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.97 150.23 35.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 108.293 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.854 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.8 m-70 -84.9 147.12 26.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.565 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.413 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.3 p -113.02 115.49 28.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.966 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.52 -17.91 15.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.612 1.195 . . . . 0.0 110.478 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.6 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.26 -49.72 8.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.413 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.8 OUTLIER -74.14 -103.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.414 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.858 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -64.03 -161.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.969 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.858 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.6 Cg_endo -75.07 -54.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.779 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.771 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 166.06 102.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 14' ' ' VAL . 59.1 p -153.92 138.94 17.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.618 1.199 . . . . 0.0 109.929 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.854 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.21 100.03 4.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.537 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.55 128.0 69.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.588 1.18 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.638 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.0 m -47.85 142.7 4.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.471 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.001 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.76 178.93 1.16 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 108.347 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.72 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.0 -174.56 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.72 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.99 115.1 4.19 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.502 1.79 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.518 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.89 -56.37 0.43 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.409 1.068 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.646 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 41.1 mp0 -66.54 104.43 1.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 0.755 . . . . 0.0 110.35 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.4 m120 -84.62 5.97 25.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.525 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.12 -170.8 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.602 1.189 . . . . 0.0 109.255 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.011 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.76 -170.96 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.345 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.552 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.1 p90 -167.59 167.51 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.71 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.48 99.19 4.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.342 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.715 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.58 156.76 23.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.48 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -150.3 151.63 33.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.975 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -168.5 -101.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 107.991 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.641 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.57 120.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 108.302 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.542 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.5 t0 -49.4 177.96 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.524 1.14 . . . . 0.0 109.215 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.37 -0.76 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.611 1.194 . . . . 0.0 109.247 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.9 m-85 -117.92 -13.78 10.05 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.572 1.17 . . . . 0.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.638 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 2.8 t 35.97 60.29 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -67.9 175.87 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.946 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.5 m -67.25 -6.66 19.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 110.048 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.752 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 6.0 mmm180 -71.19 2.67 4.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.7 -128.2 8.66 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.528 1.143 . . . . 0.0 111.063 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.975 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -96.24 -169.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.549 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.57 -163.78 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.929 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -152.53 77.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.686 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 2.9 mt-10 -92.0 69.69 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 0.0 110.241 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.926 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -67.72 -179.0 1.03 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.626 1.204 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.88 -145.92 11.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.58 1.175 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 1.001 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.7 m -113.49 154.13 27.55 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.59 144.65 5.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.596 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -52.01 -47.16 65.1 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.596 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 23.8 p -160.71 161.95 32.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.632 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.81 97.51 0.12 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 108.299 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.023 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.01 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -25.23 139.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.082 . . . . 0.0 110.031 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.858 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.36 -114.54 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.388 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.858 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.63 -52.29 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.72 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.95 -106.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.883 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.35 -53.15 5.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.743 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.7 mt-10 -36.26 73.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.883 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -86.92 90.74 8.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.236 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 1.023 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.59 158.26 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.93 -146.25 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.351 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.632 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.3 m -152.6 171.75 17.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 108.384 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.164 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.9 115.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 108.291 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.467 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 23.0 p -110.9 -35.33 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.971 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.35 165.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.3 103.46 2.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.616 ' HZ3' ' HB3' ' A' ' 13' ' ' ALA . 18.4 mttm 65.37 51.32 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.162 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.164 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.91 27.62 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 108.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.995 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.07 9.48 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.18 . . . . 0.0 109.285 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.995 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.9 69.52 5.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.553 1.817 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.105 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.7 p80 -38.1 157.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.069 . . . . 0.0 109.631 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.665 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -75.01 104.34 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.562 1.822 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 1.105 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -162.22 -37.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.7 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 38.2 mt-30 -60.39 61.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.661 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -99.07 -53.95 0.19 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.162 . . . . 0.0 110.345 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.584 ' HB2' ' CE2' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.96 -163.04 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.771 . . . . 0.0 111.064 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.428 1.08 . . . . 0.0 110.989 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.533 ' N ' ' C ' ' B' ' 14' ' ' ASP . 3.4 p-80 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.683 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -163.86 167.21 21.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.361 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.966 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.14 49.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.893 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.752 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -57.45 -165.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 1.7 pt-20 -106.91 34.7 3.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' SER . . . . . 0.516 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 12.6 t -144.6 -3.51 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.953 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.606 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 19.6 t -172.66 165.56 5.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.017 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.638 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 2.0 tm? -126.28 -23.58 3.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.509 ' C ' ' H ' ' B' ' 11' ' ' TRP . 75.3 mm-40 -81.86 143.97 50.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 110.364 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.5 Cg_endo -74.97 27.83 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.462 1.769 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.614 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.7 OUTLIER -126.84 -38.18 2.06 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 45.2 m-85 -94.0 -34.95 0.31 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.98 -42.0 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.407 1.741 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.533 ' C ' ' N ' ' B' ' 1' ' ' HIS . 3.5 t0 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.399 1.062 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 32.6 pt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.645 HG13 ' N ' ' A' ' 15' ' ' THR . 3.4 t -126.71 156.04 37.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.017 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.43 148.92 33.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.846 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.5 m-70 -84.11 146.15 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.41 1.068 . . . . 0.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.403 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -112.45 115.12 28.18 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.138 . . . . 0.0 110.428 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.944 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.1 -18.74 14.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.404 1.065 . . . . 0.0 110.408 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -83.29 -50.24 8.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.403 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -73.7 -103.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.17 . . . . 0.0 110.466 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.853 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.74 -161.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.081 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.853 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -75.01 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.438 1.757 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.829 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 166.4 102.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.402 ' O ' HG13 ' A' ' 14' ' ' VAL . 57.8 p -153.79 139.26 17.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.846 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.08 100.68 5.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.093 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.549 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -128.8 126.87 65.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 109.334 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.645 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.6 m -47.66 142.4 4.57 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.559 1.162 . . . . 0.0 110.419 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.984 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.42 179.06 1.17 Allowed Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.109 . . . . 0.0 108.311 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.73 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.96 -174.19 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.73 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.89 114.44 4.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.527 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 153.56 -56.75 0.42 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.48 1.112 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.633 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.5 mp0 -66.53 104.55 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.309 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -84.52 6.3 24.17 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.387 1.054 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.56 -171.36 0.67 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.017 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -103.31 -169.93 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.596 1.185 . . . . 0.0 108.354 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.556 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.9 p90 -168.54 167.37 11.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.709 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.29 99.03 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.719 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.36 156.7 24.08 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.363 1.039 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -150.36 150.83 31.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.976 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -167.66 -101.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 107.979 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.646 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.28 119.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 108.317 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.529 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.4 t0 -48.63 177.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.14 -0.97 13.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.8 m-85 -118.53 -12.0 9.85 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.627 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.0 t 36.62 60.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 108.284 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.1 m -63.1 176.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 0.0 109.975 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.8 m -71.48 -4.36 26.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.045 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.791 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.1 mmm180 -74.76 4.61 6.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.59 -125.43 7.41 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.976 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -97.24 -168.51 1.71 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 0.807 . . . . 0.0 109.387 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.544 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -104.55 -162.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.187 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.922 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.78 77.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.686 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 2.8 mt-10 -92.02 68.98 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.936 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.95 -178.8 0.81 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.28 -147.56 15.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.412 1.07 . . . . 0.0 111.067 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.984 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.6 m -111.42 154.96 23.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.74 144.41 4.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.571 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -51.95 -48.03 64.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.571 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 28.2 p -159.82 162.17 34.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.445 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.636 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.11 97.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.033 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.0 Cg_endo -75.05 -4.31 15.21 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.26 139.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.06 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.872 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.76 -114.26 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.872 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.97 -52.32 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.197 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.717 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.96 -106.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.504 1.791 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.883 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.09 -52.86 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 111.054 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.734 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.6 mt-10 -37.12 73.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.883 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -87.25 90.23 8.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.363 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 1.033 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.93 158.06 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -127.58 -144.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.636 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.4 m -153.68 171.97 18.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 108.235 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.16 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.82 114.8 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.41 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 15.5 p -110.24 -34.08 6.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.05 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.785 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.67 165.25 0.07 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.511 1.132 . . . . 0.0 110.481 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.7 103.53 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.473 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.0 mttm 65.29 51.36 1.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.16 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.88 27.31 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 108.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.994 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.15 9.98 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.994 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.93 69.3 5.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.172 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -38.74 158.28 0.1 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 109.524 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.622 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.04 104.57 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.439 1.757 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 1.172 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -159.36 -39.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.584 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 48.6 mt-30 -62.22 61.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.066 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -96.26 -55.31 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.592 1.183 . . . . 0.0 110.33 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 72' ' ' ARG . 18.6 Cg_endo -74.95 -28.91 8.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 110.96 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.453 ' C ' ' CG ' ' B' ' 9' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.6 1.188 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.544 ' N ' ' C ' ' B' ' 14' ' ' ASP . 3.7 t-160 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.689 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -176.49 167.01 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.944 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.17 48.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.791 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -58.06 -166.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.423 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.82 38.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' SER . . . . . 0.458 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 16.7 t -154.21 10.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.817 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 1.6 t 175.57 161.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.068 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.623 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -125.02 -24.59 4.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.593 1.183 . . . . 0.0 109.262 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.492 ' C ' ' H ' ' B' ' 11' ' ' TRP . 2.1 mm-40 -81.61 142.76 49.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.238 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.485 ' CB ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -75.05 32.94 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.578 1.831 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.653 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -132.4 -36.02 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.78 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 15.3 m-30 -97.46 -32.29 0.26 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.78 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.96 -42.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.544 ' C ' ' N ' ' B' ' 1' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.435 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 31.6 pt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.632 HG13 ' N ' ' A' ' 15' ' ' THR . 3.3 t -126.24 156.24 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.14 149.66 35.38 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.854 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.7 m-70 -84.2 147.23 27.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.42 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.3 p -113.18 114.77 27.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.401 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.958 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.22 -17.46 15.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.608 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.69 -49.49 8.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.218 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.42 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -74.54 -103.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.189 . . . . 0.0 110.378 -179.892 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.857 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.96 -161.4 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.857 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.98 -54.7 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.788 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 166.04 103.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 14' ' ' VAL . 56.3 p -154.57 138.64 16.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.92 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.854 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.21 100.03 4.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.394 1.059 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.532 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.38 127.43 69.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.632 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.0 m -46.96 142.58 3.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.456 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.977 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.63 178.53 1.28 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 108.328 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.725 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.95 -174.45 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.446 1.761 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.725 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.06 115.92 4.42 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.526 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 151.99 -56.3 0.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.127 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.653 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 35.4 mp0 -66.22 105.2 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.302 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -85.59 6.27 28.01 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.582 1.176 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -173.9 -171.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.009 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -103.29 -170.65 1.82 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 108.337 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.55 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.1 p90 -168.12 167.12 12.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.719 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.04 99.43 4.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.716 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.83 156.61 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.389 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.17 151.27 32.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.969 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.84 -101.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 107.979 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.643 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.51 120.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 108.293 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.541 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.5 t0 -49.05 177.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.03 -1.51 14.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 109.37 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.2 m-85 -117.65 -13.57 10.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.654 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 2.0 t 36.17 61.11 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.414 1.071 . . . . 0.0 108.206 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -67.63 175.92 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.925 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m -67.53 -7.15 23.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.048 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.769 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.9 mmm180 -70.92 3.06 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.72 -127.32 8.21 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.969 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -96.69 -169.01 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 109.277 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.552 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.44 -163.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.933 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.05 77.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.682 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -92.28 69.09 5.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.931 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.71 -177.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.06 -147.06 14.4 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.435 1.084 . . . . 0.0 111.07 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.977 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.0 m -112.32 155.6 23.84 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.12 145.45 4.18 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.393 1.058 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.595 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -53.14 -47.05 69.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.595 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 27.3 p -160.57 162.01 32.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.1 97.69 0.12 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 108.309 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.012 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.08 -4.56 15.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.561 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.04 139.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.047 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.835 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.05 -114.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.835 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -155.91 -52.66 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.722 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -74.87 -106.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.472 1.775 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.895 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.94 -53.29 5.95 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.551 1.157 . . . . 0.0 111.093 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.747 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.1 mt-10 -36.2 72.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 110.275 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.895 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -86.72 90.83 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 1.012 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.57 157.86 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -127.44 -146.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.419 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.0 m -152.8 171.53 18.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 108.273 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.177 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.99 115.29 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.092 . . . . 0.0 108.345 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.435 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 24.4 p -110.22 -34.6 6.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.782 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.05 165.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.436 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.11 103.58 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.486 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 32.9 mttt 65.53 51.02 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.4 1.063 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.177 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.61 27.31 5.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.994 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.1 9.91 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.994 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.98 69.09 5.62 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.399 1.736 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.16 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.7 p80 -38.49 158.16 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.586 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.632 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -75.04 104.24 1.87 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.587 1.835 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 1.16 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -160.2 -38.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.375 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.625 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 43.3 mt-30 -62.5 61.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.404 1.065 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 70' ' ' LYS . 2.1 ttt180 -96.33 -55.64 0.21 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.204 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.505 ' HD3' ' CB ' ' A' ' 72' ' ' ARG . 18.3 Cg_endo -74.89 150.72 39.17 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.779 . . . . 0.0 111.087 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.539 ' N ' ' C ' ' B' ' 14' ' ' ASP . 27.8 m80 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.686 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER 178.23 165.72 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.958 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -115.55 49.56 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.769 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.1 m-85 -58.4 -164.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.5 OUTLIER -107.53 38.8 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.261 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' SER . . . . . 0.439 ' HB3' ' NE ' ' A' ' 36' ' ' ARG . 17.7 t -153.4 4.3 0.31 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.76 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 1.4 t -177.45 162.61 1.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.956 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.63 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 2.0 tm? -126.87 -23.13 3.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.474 ' C ' ' H ' ' B' ' 11' ' ' TRP . 4.1 mm-40 -83.12 142.91 44.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.412 1.07 . . . . 0.0 110.252 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.499 ' CB ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -75.05 37.5 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.685 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -136.72 -36.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.792 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.3 m-85 -97.8 -30.57 0.25 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.792 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.6 Cg_endo -74.84 -43.36 0.43 Allowed 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.481 1.78 . . . . 0.0 111.06 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.539 ' C ' ' N ' ' B' ' 1' ' ' HIS . 1.3 t0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 22.2 pt . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.596 HG13 ' N ' ' A' ' 15' ' ' THR . 2.7 t -123.03 157.03 28.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.981 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.66 149.99 35.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.25 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.857 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.3 m-70 -85.11 146.47 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.521 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.406 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -111.76 114.66 27.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.961 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.36 -16.57 15.59 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.457 1.098 . . . . 0.0 110.428 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -85.54 -49.23 8.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.396 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.406 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -74.93 -104.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.444 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.861 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.2 -161.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.861 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.94 -54.73 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.437 1.756 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.768 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 165.9 102.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.42 ' O ' HG13 ' A' ' 14' ' ' VAL . 51.9 p -153.74 138.71 17.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.857 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.39 97.66 4.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.485 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -124.76 129.13 73.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.596 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.8 m -48.13 143.17 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.974 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.0 178.3 1.31 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.317 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.706 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.04 -175.17 2.23 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.569 1.826 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.706 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.01 115.43 4.28 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.544 1.813 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.501 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.89 -55.53 0.44 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.619 1.199 . . . . 0.0 111.067 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.645 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 47.7 mp0 -67.4 104.91 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -85.09 5.79 28.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.53 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.09 -170.77 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.981 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.98 -170.83 1.83 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.123 . . . . 0.0 108.333 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.546 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 17.9 p90 -167.62 167.68 13.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.708 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.93 99.2 3.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.713 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.41 156.14 24.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.376 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.92 149.78 30.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.067 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.966 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.43 -101.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.625 1.203 . . . . 0.0 108.012 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.674 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.61 117.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 108.325 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.507 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 47.6 t0 -47.92 176.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.507 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -70.79 -1.19 10.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.4 m-85 -119.16 -11.49 9.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.62 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.6 t 36.93 59.87 1.02 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.6 m -58.21 175.3 0.23 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -73.06 -2.83 22.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.759 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.2 mmp_? -77.79 5.44 9.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.43 -124.73 7.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.098 . . . . 0.0 111.039 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.966 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.3 OUTLIER -97.1 -168.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.596 0.821 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.553 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.98 -162.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.185 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.932 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.59 75.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.66 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.7 mt-10 -90.14 68.54 7.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.934 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.65 -178.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.21 -147.22 14.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.42 1.075 . . . . 0.0 111.088 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.974 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.8 m -111.87 155.2 24.02 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.8 144.96 4.3 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.525 1.141 . . . . 0.0 109.212 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.587 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -52.92 -47.22 68.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.587 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 22.6 p -160.41 161.49 33.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.628 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.74 97.81 0.12 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 108.311 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.029 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.0 Cg_endo -75.02 -3.92 14.64 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.646 1.866 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.36 139.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.859 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.27 -114.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.387 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.859 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 2.3 mptt -156.75 -52.37 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.718 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.04 -106.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.875 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.54 -53.24 5.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.733 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.8 mt-10 -36.31 73.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.875 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -87.28 91.04 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 1.029 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.67 158.23 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.8 m -127.55 -146.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.628 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.8 m -152.12 171.45 17.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 108.212 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.07 114.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.351 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.468 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 22.9 p -109.95 -34.29 6.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.955 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.78 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.68 165.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.435 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.9 103.53 2.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 18.9 mttm 65.23 51.84 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -100.34 27.16 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 108.312 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 1.023 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.59 9.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 1.023 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -75.01 69.28 5.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.405 1.74 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.117 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.6 p80 -37.92 158.13 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.609 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.659 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.04 104.32 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 1.117 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.53 -38.19 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.722 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 42.5 mt-30 -61.16 59.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.658 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -92.21 -50.44 0.3 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 110.234 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.691 ' CB ' ' CE2' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.9 -162.43 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.546 1.814 . . . . 0.0 111.01 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.04 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.578 ' N ' ' C ' ' B' ' 14' ' ' ASP . 15.6 m-70 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.704 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -163.4 168.17 20.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.221 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.961 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.92 48.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 110.99 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.759 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.0 m-85 -59.42 -165.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.36 40.84 1.53 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' SER . . . . . 0.411 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 7.7 t -148.8 -7.72 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.069 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.594 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 19.1 t -170.9 167.42 7.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 110.051 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.641 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 2.0 tm? -127.13 -22.33 3.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.231 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.495 ' C ' ' H ' ' B' ' 11' ' ' TRP . 4.0 mm-40 -80.53 144.97 57.9 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.497 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.08 22.62 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.798 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.606 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 5.0 t-105 -124.49 -38.21 2.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.733 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 28.9 m-85 -90.37 -35.78 0.39 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 111.066 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.733 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.1 Cg_endo -75.04 -39.64 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.571 1.827 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.578 ' C ' ' N ' ' B' ' 1' ' ' HIS . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 25.4 pt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.594 HG13 ' N ' ' A' ' 15' ' ' THR . 2.7 t -123.24 156.09 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.989 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.0 149.98 36.08 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.55 1.156 . . . . 0.0 108.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.869 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.1 m-70 -84.6 145.6 27.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.609 1.193 . . . . 0.0 109.621 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.435 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.3 p -112.19 114.8 27.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.605 1.191 . . . . 0.0 110.361 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.847 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.57 -22.68 14.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.367 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.528 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -79.42 -51.0 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.435 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -72.84 -105.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.393 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.858 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -62.48 -161.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.053 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.858 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.1 Cg_endo -74.99 -55.25 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.404 1.739 . . . . 0.0 111.035 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.902 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.1 OUTLIER 165.94 100.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.377 1.048 . . . . 0.0 109.365 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.423 ' O ' HG13 ' A' ' 14' ' ' VAL . 53.7 p -152.01 139.84 19.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.869 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.33 97.69 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.478 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -124.91 128.77 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.386 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.594 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.1 m -47.53 143.24 3.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 110.363 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.96 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.21 178.32 1.29 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.696 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.6 Cg_endo -74.97 -175.34 2.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.696 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.05 116.38 4.56 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.494 1.786 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.512 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 151.76 -55.43 0.46 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.646 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 43.0 mp0 -67.06 105.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 110.264 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -85.92 6.38 28.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.37 1.044 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.523 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.95 -171.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.191 . . . . 0.0 109.295 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.989 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.43 -171.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.354 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.559 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.6 p90 -167.37 167.43 13.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.967 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.718 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -136.33 99.06 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.716 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.4 155.76 24.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.6 mtt -149.72 149.37 30.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 111.07 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.963 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.38 -101.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.657 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.17 119.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.399 1.062 . . . . 0.0 108.301 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.523 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 40.2 t0 -47.71 177.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.84 -0.38 13.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.2 m-85 -120.82 -10.39 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.587 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 4.6 t 37.5 61.34 1.0 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.474 1.109 . . . . 0.0 108.252 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.1 m -59.85 174.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 109.924 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.2 m -72.67 -3.27 23.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.051 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.764 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 2.0 mmp_? -77.22 4.75 9.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.84 -124.15 7.0 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.601 1.188 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.963 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -97.25 -168.92 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.564 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -104.48 -161.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.61 1.194 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.946 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.98 76.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.679 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.5 mt-10 -91.11 68.66 6.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.929 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.54 -176.93 0.51 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.36 -146.92 14.4 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.512 1.133 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.96 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.8 m -112.41 156.13 23.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.65 144.6 3.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.59 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -52.27 -47.4 65.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.234 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.59 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 28.3 p -160.3 162.04 33.46 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.412 1.07 . . . . 0.0 110.435 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.14 97.63 0.12 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 108.328 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.037 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.06 -4.66 15.72 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.21 139.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.409 1.068 . . . . 0.0 109.991 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.854 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.76 -114.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.854 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.15 -52.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.723 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.96 -107.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.882 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -82.39 -52.54 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.73 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.5 mt-10 -37.62 73.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.882 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -87.56 89.55 8.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.246 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 1.037 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.04 157.74 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.423 1.077 . . . . 0.0 109.392 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -127.34 -146.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 13.4 m -152.5 172.01 17.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 108.277 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.91 115.37 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 108.252 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.477 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 19.6 p -110.47 -34.74 6.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 110.038 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.23 164.9 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.33 104.02 2.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.08 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.489 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 35.4 mttt 64.86 50.96 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.253 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.33 27.39 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 108.291 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.991 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.37 10.77 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.991 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -75.06 69.83 5.5 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.406 1.74 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.086 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 2.3 p80 -37.36 156.15 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.574 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.699 ' C ' ' HD3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.0 103.27 1.7 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 1.086 ' CD ' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -163.76 -38.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.18 . . . . 0.0 109.355 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.732 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 37.1 mt-30 -56.41 78.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.192 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.575 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -159.27 130.06 3.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 97.21 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.649 ' N ' ' C ' ' B' ' 14' ' ' ASP . 13.1 t-80 . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.697 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -164.63 175.43 9.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.847 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -117.73 40.36 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.764 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -56.9 175.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -90.6 41.63 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' SER . . . . . 0.46 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 23.2 t -145.27 -15.74 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.97 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.612 ' OG ' ' HB2' ' B' ' 12' ' ' TYR . 11.5 t -164.98 171.65 13.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.091 . . . . 0.0 110.085 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.664 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.5 tm? -130.75 -19.85 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.472 ' C ' ' H ' ' B' ' 11' ' ' TRP . 3.5 mm-40 -84.9 144.39 41.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.52 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.5 Cg_endo -74.95 37.57 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.399 1.736 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.677 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 10.0 t-105 -134.95 -40.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 107.958 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.778 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 10.9 m-30 -94.69 -32.01 0.28 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.778 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -75.0 -39.64 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.649 ' C ' ' N ' ' B' ' 1' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.416 ' O ' HG23 ' A' ' 15' ' ' THR . 34.2 pt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.657 HG13 ' N ' ' A' ' 15' ' ' THR . 3.5 t -128.24 156.67 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.007 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.87 150.65 36.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 108.324 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.861 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.7 m-70 -85.08 146.17 27.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.583 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.413 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -112.2 114.34 27.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 110.322 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.966 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -102.8 -17.83 15.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.447 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.611 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.22 -49.38 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.413 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.8 OUTLIER -74.61 -103.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 110.357 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.72 -161.49 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.99 -54.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.419 1.747 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.773 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 166.17 103.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.414 ' O ' HG13 ' A' ' 14' ' ' VAL . 48.7 p -154.33 139.22 17.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.471 1.107 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.861 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.83 101.44 5.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.535 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -129.28 126.68 64.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.657 ' N ' HG13 ' A' ' 2' ' ' VAL . 9.1 m -48.01 142.19 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.987 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.07 178.69 1.29 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 108.255 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.754 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.4 Cg_endo -74.95 -173.2 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.754 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 17.9 Cg_endo -75.07 115.15 4.19 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.445 1.761 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.504 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.5 -55.72 0.44 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.518 1.136 . . . . 0.0 111.114 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.638 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 40.4 mp0 -67.39 104.47 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 110.356 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -84.74 5.95 26.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.513 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.43 -170.48 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.007 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.92 -170.35 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 108.312 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.533 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.9 p90 -168.42 168.08 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.952 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.708 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -137.0 99.17 3.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.704 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.6 155.5 24.41 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.419 1.075 . . . . 0.0 109.432 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -148.94 152.13 35.83 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.598 1.186 . . . . 0.0 111.087 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.958 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.02 -101.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 107.973 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.648 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.75 120.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.557 ' OD1' ' NE ' ' B' ' 2' ' ' ARG . 41.3 t0 -48.63 177.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.23 -1.12 13.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.4 m-85 -118.11 -13.96 9.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 2.1 t 37.16 61.49 0.92 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 108.336 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.7 m -68.24 176.42 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.8 m -68.82 -6.45 26.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.951 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.746 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 7.1 mmm180 -71.55 2.93 4.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.73 -128.23 8.8 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.958 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -96.43 -168.49 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.734 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.562 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.77 -163.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.921 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.48 77.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.68 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.1 mt-10 -91.55 68.76 5.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.921 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.68 -178.68 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.02 -146.31 12.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.412 1.07 . . . . 0.0 111.081 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.987 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 4.7 m -112.54 155.84 23.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.405 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.46 144.44 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.585 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -52.0 -47.58 64.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.585 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 23.6 p -160.35 162.42 33.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.338 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.642 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.28 97.5 0.12 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 108.345 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.019 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -75.01 -4.58 15.61 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.54 1.811 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -24.95 139.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.581 1.176 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.857 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.64 -114.54 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.857 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.5 -52.43 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.72 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.1 Cg_endo -75.08 -106.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.416 1.745 . . . . 0.0 110.98 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.888 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.7 p90 -82.82 -53.05 6.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.739 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.6 mt-10 -36.52 73.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.888 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -87.04 90.42 8.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 1.019 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.6 t -98.21 157.6 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.404 ' HB ' ' CG ' ' A' ' 25' ' ' ARG . 2.9 m -127.54 -148.15 0.37 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.405 1.066 . . . . 0.0 110.381 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.642 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.9 m -150.59 171.35 17.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 108.285 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.69 114.89 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 108.353 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.0 p -110.05 -35.48 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.887 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.781 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.28 166.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.414 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.52 103.52 2.99 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.596 1.185 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 20.6 mttm 65.41 51.18 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.95 27.91 5.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.15 . . . . 0.0 108.211 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.996 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.53 10.06 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.996 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -75.13 69.72 5.57 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.523 1.801 . . . . 0.0 111.041 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.12 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.7 p80 -37.96 157.55 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.516 1.135 . . . . 0.0 109.568 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.666 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -74.95 104.79 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 1.12 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.76 -43.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.645 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 44.9 mt-30 -55.5 84.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.479 1.112 . . . . 0.0 110.356 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.702 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . 2.0 ttp180 -146.2 -61.33 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.393 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -74.98 83.82 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 73' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.539 ' N ' ' C ' ' B' ' 14' ' ' ASP . 8.6 t60 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.696 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -168.38 166.94 12.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.966 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.48 49.16 1.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.94 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.746 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.5 m-85 -57.13 -165.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 1.0 OUTLIER -106.8 38.1 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' SER . . . . . 0.504 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 33.9 t -146.41 -7.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.979 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.629 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 13.5 t -169.61 170.03 8.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.631 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -129.66 -20.23 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.395 1.059 . . . . 0.0 109.213 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.494 ' C ' ' H ' ' B' ' 11' ' ' TRP . 1.2 mm-40 -84.7 142.77 39.9 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.498 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -75.06 32.4 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.448 1.762 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.618 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -129.96 -37.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 107.99 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 68.4 m-85 -96.14 -34.25 0.27 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 111.09 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -74.98 -42.59 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.539 ' C ' ' N ' ' B' ' 1' ' ' HIS . 4.5 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 28.5 pt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.653 HG13 ' N ' ' A' ' 15' ' ' THR . 3.2 t -126.87 154.63 37.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 109.364 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.993 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -143.78 149.85 37.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 108.266 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.855 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.4 m-70 -85.04 146.57 27.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.577 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.408 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -112.4 115.08 28.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.426 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.966 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.48 -17.69 15.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.408 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.601 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.5 -50.21 7.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.408 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -73.58 -103.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.859 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -64.08 -161.24 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.911 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.859 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.99 -55.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.424 1.749 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.776 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 166.55 102.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.235 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.402 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.4 p -153.35 138.62 17.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.855 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.93 101.05 5.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.552 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -129.38 126.43 63.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.168 . . . . 0.0 109.199 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.653 ' N ' HG13 ' A' ' 2' ' ' VAL . 6.6 m -46.67 142.71 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.358 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.993 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.18 178.63 1.27 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 108.255 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.738 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -75.01 -173.8 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.563 1.823 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.738 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.98 116.13 4.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.509 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.18 -57.1 0.43 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.389 1.055 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.634 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 38.9 mp0 -66.77 105.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.4 m120 -84.84 6.34 25.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.74 -171.01 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.993 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.47 -170.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.605 1.191 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.554 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.0 p90 -168.02 167.4 12.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.714 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.46 99.25 4.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.584 1.178 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.704 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.7 156.33 23.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.78 152.03 34.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.973 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.05 -101.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.109 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.635 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.16 120.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.311 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.552 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.8 t0 -49.53 178.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 109.198 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.56 -0.62 13.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.473 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.1 m-85 -119.61 -11.5 9.42 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.623 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.7 t 35.98 59.64 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 108.264 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -63.57 175.36 1.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 m -69.53 -5.05 21.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 109.931 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.789 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.1 mmm180 -73.45 3.09 6.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.91 -126.66 8.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.973 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -96.24 -169.29 1.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.767 . . . . 0.0 109.358 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 30' ' ' ASP . 1.9 t -104.38 -163.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.923 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.06 76.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.209 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.68 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -91.79 69.87 5.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.603 1.189 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.923 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -67.65 -177.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.64 -146.86 13.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.993 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 6.1 m -112.39 154.25 26.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.401 ' HA ' ' HG3' ' A' ' 20' ' ' GLU . . . -166.74 145.11 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.583 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -53.01 -47.17 68.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.583 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 24.1 p -160.23 162.37 33.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.96 97.63 0.13 Allowed Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.528 1.142 . . . . 0.0 108.243 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.029 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.96 -4.56 15.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.556 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -25.12 139.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.063 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.854 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.91 -114.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.854 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.52 -52.38 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.715 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.07 -106.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.896 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.23 -53.13 6.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.721 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.1 mt-10 -37.08 72.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.142 . . . . 0.0 110.344 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.896 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -87.11 89.93 8.17 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.574 1.171 . . . . 0.0 110.221 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 1.029 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.51 158.27 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.65 -146.03 0.32 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 10.9 m -152.8 171.91 17.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 108.336 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.15 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.89 116.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 108.28 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 18.5 p -111.23 -34.92 6.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.049 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.786 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.78 166.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.69 103.24 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 17.0 mttm 65.83 51.15 1.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.15 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -99.9 26.97 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.244 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 1.022 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.72 9.15 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 1.022 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -75.01 69.51 5.54 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.546 1.814 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.128 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -37.89 158.13 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.605 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.661 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -75.03 104.63 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.426 1.751 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 1.128 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.19 -40.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.575 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 45.5 mt-30 -60.99 66.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.655 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -115.71 -60.8 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.272 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.655 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.2 Cg_endo -74.98 107.79 2.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.579 ' C ' ' CE2' ' B' ' 12' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.561 ' N ' ' C ' ' B' ' 14' ' ' ASP . 6.4 t-80 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.686 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -166.93 167.43 14.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.966 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.19 49.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.789 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -58.02 -165.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.2 OUTLIER -107.1 39.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' SER . . . . . 0.499 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 12.2 t -149.33 -4.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.617 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 10.7 t -171.37 166.53 6.99 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.427 1.08 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.633 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -127.6 -20.79 3.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.0 mm-40 -83.28 143.4 44.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.475 ' CB ' ' HA ' ' B' ' 1' ' ' HIS . 18.0 Cg_endo -75.11 26.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.571 1.827 . . . . 0.0 110.987 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.602 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -126.96 -35.2 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 108.002 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.747 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 48.6 m-85 -95.93 -34.93 0.27 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.747 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.6 Cg_endo -74.93 -38.02 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.808 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.561 ' C ' ' N ' ' B' ' 1' ' ' HIS . 2.4 t0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 27.4 pt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.583 HG13 ' N ' ' A' ' 15' ' ' THR . 2.7 t -123.87 154.5 30.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.98 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -143.54 149.71 37.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 108.284 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.853 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 20.5 m-70 -84.96 145.0 27.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.604 1.19 . . . . 0.0 109.568 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.409 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -110.84 115.35 29.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.969 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.52 -17.65 15.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.57 -49.98 8.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 109.368 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.409 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -74.02 -103.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.852 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.45 -161.56 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.962 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.852 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.0 Cg_endo -75.08 -54.68 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.466 1.772 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.785 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 165.87 103.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.438 ' O ' HG13 ' A' ' 14' ' ' VAL . 53.6 p -155.03 138.46 15.88 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.853 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -75.72 97.59 3.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.493 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -124.15 129.2 74.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 109.198 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.583 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.4 m -48.38 143.14 5.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.964 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.33 177.85 1.42 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.074 . . . . 0.0 108.25 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.712 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -74.98 -174.8 2.06 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.475 1.776 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.712 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -74.99 116.69 4.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.531 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 151.57 -56.35 0.45 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.663 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 11.0 mp0 -66.14 104.86 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -85.11 5.68 28.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.632 1.207 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.38 -170.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.373 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.98 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -103.94 -171.13 1.88 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.538 1.149 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.558 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.4 p90 -167.3 167.79 13.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.568 1.168 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.703 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.74 99.09 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 110.312 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.705 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.26 156.24 24.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.482 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -149.87 151.51 33.58 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.964 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -168.39 -100.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 108.013 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.661 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.26 118.8 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 108.317 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.547 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.2 t0 -48.47 177.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.02 -0.68 12.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.485 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.9 m-85 -120.61 -9.71 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.611 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.1 t 35.08 61.42 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 108.398 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.5 m -61.18 175.74 0.51 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 m -72.46 -2.53 19.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.993 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.783 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 1.4 mmp_? -77.43 5.52 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 110.206 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.15 -124.56 7.08 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.488 1.118 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.964 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -97.91 -169.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.368 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.547 ' CG2' ' N ' ' A' ' 30' ' ' ASP . 2.0 t -103.49 -163.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.913 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.06 76.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.679 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -91.22 69.21 6.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.223 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.935 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.87 -178.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.458 ' O ' ' HB3' ' A' ' 3' ' ' CYS . . . 159.1 -146.61 13.25 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.964 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.8 m -112.38 155.42 24.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.448 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.14 145.27 4.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.592 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -53.7 -46.6 70.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.592 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 25.5 p -160.39 162.03 33.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.52 97.76 0.13 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.042 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -75.02 -4.38 15.31 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.558 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.26 139.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.59 1.181 . . . . 0.0 109.994 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.862 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.84 -114.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.415 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.862 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 1.7 mptt -156.75 -52.52 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.085 . . . . 0.0 109.356 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.712 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.97 -106.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.884 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.65 -52.68 6.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.581 1.175 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.732 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.7 mt-10 -37.41 73.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.884 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -87.49 90.36 8.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 1.042 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.6 t -97.83 157.94 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.5 m -127.12 -145.55 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.6 m -153.27 171.87 17.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.85 114.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 108.304 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.455 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 21.2 p -109.66 -33.56 6.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.779 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -50.32 166.41 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.57 104.15 3.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.471 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 36.4 mttt 64.48 51.59 1.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -100.09 27.0 5.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 1.02 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.85 9.05 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.236 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 1.02 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.7 Cg_endo -74.97 68.86 5.66 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.132 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.6 p80 -37.6 158.04 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 109.563 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.633 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.01 104.17 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.081 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 1.132 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.87 -38.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.587 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 44.1 mt-30 -61.76 61.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.636 ' N ' ' O ' ' A' ' 70' ' ' LYS . 7.7 ttt180 -102.49 -57.25 0.1 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.598 ' HB2' ' CD2' ' B' ' 12' ' ' TYR . 18.5 Cg_endo -74.99 53.08 3.22 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.48 1.779 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.96 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.515 ' N ' ' C ' ' B' ' 14' ' ' ASP . 39.4 t60 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.71 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -175.74 166.64 3.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.969 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.47 49.08 1.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.783 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.0 m-85 -58.87 -164.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -107.74 41.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.9 -1.63 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.014 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.661 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 5.2 t -173.9 164.44 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.635 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -127.01 -21.49 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.486 ' C ' ' H ' ' B' ' 11' ' ' TRP . 2.9 mm-40 -83.11 143.41 45.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.393 1.058 . . . . 0.0 110.349 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.512 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -75.01 34.35 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.669 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -134.02 -37.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.774 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 71.5 m-85 -95.29 -32.12 0.27 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.774 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.6 Cg_endo -74.98 -41.15 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.515 ' C ' ' N ' ' B' ' 1' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 27.9 pt . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.624 HG13 ' N ' ' A' ' 15' ' ' THR . 3.4 t -124.12 157.47 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.01 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.9 m -145.81 149.97 35.33 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 0.0 108.316 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.847 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.7 m-70 -84.82 146.93 27.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 0.0 109.635 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.438 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.3 p -113.77 115.15 27.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.419 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.943 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.69 -23.11 14.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.07 . . . . 0.0 110.455 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.532 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -79.01 -51.18 9.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.438 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -72.1 -104.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.458 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -63.91 -161.24 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 110.076 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -75.05 -54.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.915 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 165.58 101.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.353 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.401 ' O ' HG13 ' A' ' 14' ' ' VAL . 62.5 p -152.69 140.23 19.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.847 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.8 99.61 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.528 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.1 127.73 71.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.624 ' N ' HG13 ' A' ' 2' ' ' VAL . 8.3 m -48.47 142.29 5.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.396 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.977 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -99.0 178.55 1.26 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 108.285 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.719 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.91 -174.47 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.523 1.801 . . . . 0.0 111.067 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.719 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.04 115.53 4.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.954 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.516 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 153.08 -56.93 0.43 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.621 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.8 mp0 -66.4 104.61 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.605 0.826 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.4 m120 -85.13 9.21 15.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.787 HD11 ' SG ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -175.99 -168.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.01 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -106.86 -171.05 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 108.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.534 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.4 p90 -166.14 167.68 16.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.691 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -137.12 99.46 4.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.372 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.687 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -83.12 155.53 23.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.473 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.6 mtt -149.83 148.61 29.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.964 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -165.51 -101.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.654 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.56 121.53 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 108.342 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.556 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 42.9 t0 -48.76 178.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.372 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.73 -0.44 13.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.242 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.8 m-85 -117.94 -16.13 9.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.644 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 2.0 t 37.3 61.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.317 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.0 m -73.41 176.96 5.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.415 ' C ' ' H ' ' A' ' 37' ' ' GLY . 8.6 m -63.88 -10.04 18.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.763 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 8.0 mmm180 -67.31 -0.1 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.415 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 85.36 -129.3 9.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.964 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -95.16 -168.48 1.81 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.566 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -106.28 -161.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.944 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -154.21 77.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.688 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.4 mt-10 -92.51 68.36 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.95 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -65.95 -175.97 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.383 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.485 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.09 -148.55 18.42 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.977 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 8.0 m -109.93 154.95 22.38 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.69 143.29 2.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.592 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -51.26 -46.54 62.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.592 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 43.2 p -159.85 161.41 34.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.857 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.9 OUTLIER -37.89 99.36 0.18 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.291 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.01 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.02 0.68 8.62 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.578 1.831 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -27.02 140.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.951 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.863 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -95.5 -113.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.409 1.068 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.863 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -156.54 -52.75 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.37 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.723 ' HD3' ' HB2' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -75.01 -106.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.527 1.804 . . . . 0.0 111.069 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.902 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.17 -52.52 6.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.694 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.0 mt-10 -38.07 72.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.902 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -87.11 88.6 7.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 1.01 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.13 158.49 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.464 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 1.1 m -131.89 -155.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.857 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 1.2 m -140.47 176.64 8.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 108.246 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.204 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 177.06 112.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.278 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.464 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 9.3 p -108.11 -35.89 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.079 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.752 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.03 160.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.5 104.11 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.488 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 32.5 mttt 64.22 51.91 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.36 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.204 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.7 p -99.23 27.01 5.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 108.293 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.996 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.17 10.86 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.216 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.996 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -74.9 69.08 5.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.416 1.745 . . . . 0.0 111.036 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.134 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.4 p80 -37.75 157.16 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.644 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.633 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -74.96 103.25 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.434 1.755 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 1.134 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.68 -39.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.596 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 44.2 mt-30 -57.67 75.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.589 ' N ' ' O ' ' A' ' 70' ' ' LYS . 18.8 ttt85 -162.2 140.17 6.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.441 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.5 Cg_endo -74.98 105.87 2.17 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.608 1.846 . . . . 0.0 111.038 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.544 ' N ' ' C ' ' B' ' 14' ' ' ASP . 3.4 t-160 . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.653 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -158.56 171.6 19.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.943 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -117.77 40.81 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 111.12 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.763 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.4 m-85 -52.45 -175.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.507 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 7.7 pt-20 -99.49 34.78 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' SER . . . . . 0.503 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 19.3 t -144.43 2.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.922 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.716 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 22.3 t -179.0 166.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.648 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.1 tm? -126.6 -27.34 3.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' B' ' 11' ' ' TRP . 0.7 OUTLIER -77.74 144.53 69.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 110.286 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.532 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -74.99 29.04 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.422 1.749 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.62 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 2.5 t90 -128.5 -37.85 1.77 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.75 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 4.0 m-30 -94.53 -34.64 0.29 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.75 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.7 Cg_endo -74.88 -41.81 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.544 ' C ' ' N ' ' B' ' 1' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 15' ' ' THR . 26.9 pt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.649 HG13 ' N ' ' A' ' 15' ' ' THR . 2.8 t -122.27 152.13 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.955 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.06 149.21 36.26 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.57 1.169 . . . . 0.0 108.395 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.84 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 20.7 m-70 -85.08 145.66 27.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.593 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.416 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -111.85 114.96 28.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.962 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.42 -17.67 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.414 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.54 -49.28 8.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.416 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -74.9 -104.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 110.446 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.849 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.16 -161.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.849 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -75.0 -54.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.751 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 165.77 102.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.2 p -152.75 138.91 18.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.84 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -78.28 103.37 8.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.218 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.558 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -130.95 127.3 61.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.649 ' N ' HG13 ' A' ' 2' ' ' VAL . 9.7 m -49.01 141.91 7.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.964 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.15 177.87 1.54 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 108.334 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.737 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.95 -173.43 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.737 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.5 Cg_endo -75.0 112.63 3.61 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.508 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 156.49 -57.37 0.38 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.657 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 3.6 mp0 -67.0 103.87 1.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -83.47 7.43 16.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.512 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -175.81 -171.39 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.416 1.073 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.955 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -103.77 -169.52 1.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.281 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 17.4 p90 -168.17 167.15 12.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.06 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.71 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.41 99.07 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.714 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.37 156.53 24.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.03 151.67 33.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.976 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -168.24 -101.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 107.984 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -177.0 118.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 108.25 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 46.7 t0 -48.81 176.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.612 1.195 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.512 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -71.3 -1.16 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.7 m-85 -119.13 -10.38 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.624 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.2 t 34.83 60.36 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 108.366 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.6 m -59.57 175.69 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.6 m -72.52 -2.01 18.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.091 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.767 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.8 mmp_? -78.09 5.12 10.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.13 -124.34 6.98 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.557 1.16 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.976 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 1.7 mmtt -97.69 -168.67 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.541 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.8 t -104.24 -164.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.923 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -152.4 76.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.681 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -90.85 68.56 6.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.918 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.62 -178.44 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 109.397 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.52 -146.49 12.93 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.964 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.6 m -112.0 155.65 23.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.8 144.83 3.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 109.388 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.585 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -53.53 -46.87 70.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.585 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 27.8 p -159.95 162.83 34.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.61 1.194 . . . . 0.0 110.405 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -35.29 97.98 0.14 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 108.275 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.034 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.05 -4.01 14.76 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.58 1.832 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.555 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.54 139.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.956 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.85 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.94 -114.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.85 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.26 -52.49 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.721 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.03 -106.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 111.062 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.903 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.5 -53.37 5.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.408 1.068 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.725 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.3 mt-10 -36.51 72.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.903 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -86.71 89.99 8.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 1.034 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.33 158.55 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -127.62 -144.98 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.6 m -153.66 172.0 17.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.325 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.77 115.07 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 108.255 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.2 p -110.31 -34.44 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.048 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.22 165.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.42 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.52 102.28 2.66 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HG2' ' CB ' ' A' ' 13' ' ' ALA . 37.7 mttt 67.37 51.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -100.38 26.79 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 108.281 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 1.01 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.48 8.58 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 1.01 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.6 Cg_endo -74.86 69.87 5.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.393 1.733 . . . . 0.0 110.965 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.113 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.9 p80 -38.53 158.01 0.1 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.634 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.68 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 17.9 Cg_endo -75.14 105.43 2.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 1.113 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.95 -40.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.764 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 39.7 mt-30 -56.92 77.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.255 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 70' ' ' LYS . 20.5 ttm-85 -166.02 138.71 3.3 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.153 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 107.06 2.4 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.054 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.956 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.61 ' N ' ' CB ' ' B' ' 14' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.718 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -173.89 168.95 4.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.216 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.962 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.93 48.55 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.637 1.211 . . . . 0.0 110.962 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.767 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.2 m-85 -59.66 -165.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 1.092 . . . . 0.0 110.983 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.51 41.37 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -149.16 -9.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.972 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.613 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 12.3 t -167.93 168.98 11.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.655 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -129.99 -16.16 3.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.479 ' C ' ' H ' ' B' ' 11' ' ' TRP . 55.4 mm-40 -88.09 144.21 34.13 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.517 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.3 Cg_endo -74.97 36.54 0.44 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.667 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.5 t90 -135.14 -38.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.001 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.768 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 7.8 m-30 -94.75 -32.36 0.28 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.768 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.99 -42.49 0.5 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.559 1.821 . . . . 0.0 110.967 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.61 ' CB ' ' N ' ' B' ' 1' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 30.4 pt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.619 HG13 ' N ' ' A' ' 15' ' ' THR . 3.5 t -124.1 156.68 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.192 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.976 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.07 150.41 36.79 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.45 1.094 . . . . 0.0 108.309 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.874 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.7 m-70 -84.89 147.41 26.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.591 1.182 . . . . 0.0 109.56 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.432 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.3 p -114.46 114.64 26.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.475 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.938 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.03 -23.57 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.403 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.518 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -78.36 -51.37 10.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.432 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -72.48 -105.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.534 179.915 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.843 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -61.96 -161.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.843 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -75.11 -54.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.962 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 165.3 100.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.435 ' O ' HG13 ' A' ' 14' ' ' VAL . 57.0 p -153.44 140.86 19.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.021 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.874 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.01 100.89 5.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.527 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.7 127.68 70.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.619 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.9 m -48.18 142.4 5.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.008 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -99.76 178.33 1.3 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 108.329 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.721 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -75.01 -174.39 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.721 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.93 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.547 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.62 -57.25 0.43 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.594 1.184 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.624 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.6 mp0 -65.86 104.46 1.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.535 0.785 . . . . 0.0 110.46 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -85.28 9.65 14.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.762 HD11 ' SG ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -176.45 -167.39 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.976 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -107.62 -171.33 1.85 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.456 1.097 . . . . 0.0 108.342 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.548 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.2 p90 -165.78 168.52 15.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.701 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -137.87 99.24 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.175 . . . . 0.0 110.317 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.687 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -82.61 155.78 24.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.383 1.052 . . . . 0.0 109.349 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.7 mtt -149.95 149.5 30.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.963 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -166.28 -100.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 107.981 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.656 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.38 121.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 108.298 -179.871 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.552 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 43.7 t0 -48.83 177.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.67 -1.77 17.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.7 m-85 -119.1 -11.42 9.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.614 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.1 t 36.7 61.32 0.86 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 108.295 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.4 m -65.26 175.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.041 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.5 m -69.84 -5.39 25.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.794 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 4.7 mmm180 -73.31 3.58 5.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.66 -127.56 8.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.432 1.083 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.963 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -95.82 -167.93 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.572 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -105.21 -161.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.941 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -154.3 77.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.696 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.3 mt-10 -92.4 69.05 5.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.949 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.69 -175.75 0.42 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.505 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.05 -147.98 17.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.564 1.165 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 1.008 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 7.4 m -110.29 155.0 22.67 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.94 142.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.598 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -50.74 -46.34 59.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.598 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 41.9 p -160.06 161.02 33.82 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.84 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -37.52 99.26 0.18 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.167 . . . . 0.0 108.272 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.016 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -74.96 0.79 8.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -26.7 139.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.083 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.849 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.75 -114.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.849 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.15 -53.13 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.732 ' HD3' ' HB2' ' A' ' 52' ' ' LYS . 18.1 Cg_endo -75.04 -106.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.903 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.4 p90 -82.46 -52.49 6.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.699 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 19.2 mt-10 -38.31 72.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.903 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -87.35 88.8 7.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 1.016 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.89 159.08 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.499 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 1.4 m -132.06 -155.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.444 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.84 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 1.2 m -140.96 175.81 9.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 108.358 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.214 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 177.45 111.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.369 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.48 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 8.8 p -108.12 -35.22 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.082 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.754 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.97 160.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.433 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.83 104.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 30.3 mttt 63.99 52.22 2.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.217 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.214 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.8 p -99.73 27.61 5.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 0.0 108.32 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.995 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -110.08 10.92 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.995 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.1 Cg_endo -74.96 69.41 5.53 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.53 1.805 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.158 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.6 p80 -38.93 157.82 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.638 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.613 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.99 103.73 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 1.158 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -159.87 -39.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.609 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 45.6 mt-30 -58.33 75.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.579 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -157.59 132.57 5.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 110.29 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 95.49 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.445 1.761 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 110.957 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.577 ' N ' ' CB ' ' B' ' 14' ' ' ASP . 6.5 m-70 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.665 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -171.3 171.87 5.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.631 1.207 . . . . 0.0 110.344 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.938 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -118.87 42.09 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 111.064 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.794 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.2 m-85 -54.23 -171.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -102.7 38.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' SER . . . . . 0.481 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 29.0 t -154.18 13.6 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.828 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 13.2 t 171.77 159.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.928 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.647 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.2 tm? -123.55 -27.17 4.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.5 ' C ' ' H ' ' B' ' 11' ' ' TRP . 0.4 OUTLIER -75.73 145.63 78.69 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.507 ' CB ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.05 23.7 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.503 1.791 . . . . 0.0 110.986 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.626 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -126.12 -36.99 2.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.75 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.7 m-30 -92.47 -34.51 0.34 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 111.05 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.75 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -74.96 -40.63 0.85 Allowed 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 124.526 1.803 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.577 ' CB ' ' N ' ' B' ' 1' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 29.3 pt . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.64 HG13 ' N ' ' A' ' 15' ' ' THR . 3.1 t -126.97 155.66 37.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.01 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.17 149.27 34.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 108.26 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.852 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 20.6 m-70 -84.18 146.22 27.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.632 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.416 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.3 p -112.31 115.63 29.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.952 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.83 -17.77 14.92 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.126 . . . . 0.0 110.356 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.6 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.47 -49.6 8.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.416 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -74.31 -103.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.855 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.98 -161.52 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.921 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.855 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.5 Cg_endo -74.83 -54.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.59 1.837 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.794 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 166.08 103.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.403 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.2 p -154.37 139.29 17.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.852 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.78 99.96 5.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.374 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.528 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.86 127.28 67.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.64 ' N ' HG13 ' A' ' 2' ' ' VAL . 6.7 m -47.5 142.75 4.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.991 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.4 178.68 1.25 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 108.26 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.733 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.6 Cg_endo -74.89 -174.09 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.424 1.75 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.733 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.05 114.98 4.15 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.455 1.766 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.517 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 153.13 -56.36 0.43 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.572 1.17 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.664 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 40.5 mp0 -66.97 104.6 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 0.73 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -84.49 5.38 27.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -172.85 -170.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.226 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.01 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.2 -170.21 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 108.263 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.0 p90 -168.54 167.21 11.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.715 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.23 99.52 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.709 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.89 156.51 23.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.87 152.28 34.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.973 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.39 -101.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 107.996 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.631 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.71 120.21 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 108.334 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.546 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 43.2 t0 -49.14 178.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.31 -1.13 14.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.1 m-85 -118.11 -13.5 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.659 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 1.9 t 36.26 60.58 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 108.352 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.2 m -67.45 175.89 2.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 m -67.44 -6.68 20.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.77 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 6.1 mmm180 -71.34 3.73 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.03 -126.16 7.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.973 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -97.72 -168.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.548 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -104.95 -162.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.927 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.44 76.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.683 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -91.46 69.56 5.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.272 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.938 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -67.18 -177.82 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.43 -147.29 14.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.991 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.4 m -111.96 154.08 25.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.4 145.31 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.379 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.592 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -53.2 -47.24 69.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.592 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 27.1 p -160.47 161.47 32.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.83 97.54 0.12 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 108.291 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.02 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.6 Cg_endo -74.97 -4.64 15.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.564 1.823 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.02 138.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.989 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.865 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.35 -114.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.865 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -156.75 -52.39 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.715 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.96 -106.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.395 1.734 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.887 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.07 -53.1 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.731 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -37.0 73.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.887 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -87.11 90.41 8.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.248 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 1.02 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.01 158.34 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.95 -146.32 0.32 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.516 1.135 . . . . 0.0 110.477 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.3 m -152.56 171.84 17.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.323 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.94 115.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 108.33 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p -110.21 -34.28 6.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.78 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.27 166.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.395 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.15 102.46 3.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.48 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 31.9 mttt 66.88 51.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.208 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -99.82 27.51 5.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 108.33 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.996 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.28 9.8 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.996 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -74.9 68.67 5.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.157 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -38.09 157.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.617 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.96 104.36 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.376 1.724 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 1.157 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -159.67 -38.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.61 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 43.5 mt-30 -62.31 59.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.639 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -98.14 -49.48 0.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.625 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.6 Cg_endo -74.93 159.61 41.36 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.557 1.819 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.536 ' N ' ' C ' ' B' ' 14' ' ' ASP . 2.2 t60 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.693 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER 177.11 165.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.952 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -115.32 50.01 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.77 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.1 m-85 -59.1 -164.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.6 OUTLIER -107.12 38.18 2.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.616 1.197 . . . . 0.0 110.283 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' SER . . . . . 0.426 ' HB3' ' NE ' ' A' ' 36' ' ' ARG . 32.8 t -153.05 6.09 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 110.028 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.779 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 1.3 t -179.21 162.13 1.17 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.108 . . . . 0.0 109.975 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.627 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -126.34 -23.71 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.476 ' C ' ' H ' ' B' ' 11' ' ' TRP . 2.2 mm-40 -83.08 143.21 45.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.5 ' CB ' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -74.97 36.99 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.433 1.754 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.685 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -136.46 -37.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 107.984 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.785 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.5 m-85 -96.93 -30.67 0.26 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.785 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -74.93 -43.99 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.545 1.813 . . . . 0.0 111.044 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.536 ' C ' ' N ' ' B' ' 1' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.348 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.409 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 25.8 pt . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.626 HG13 ' N ' ' A' ' 15' ' ' THR . 2.5 t -124.08 153.99 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 1.006 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.79 149.74 35.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 0.0 108.271 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.881 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.6 m-70 -84.33 145.68 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 109.607 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.44 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.3 p -113.09 114.75 27.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.405 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.879 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.23 -24.43 14.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.572 1.17 . . . . 0.0 110.484 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -77.5 -50.66 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.44 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -72.95 -104.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.399 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.14 -161.27 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.582 1.176 . . . . 0.0 110.036 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.97 -55.13 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.421 1.748 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.901 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.1 OUTLIER 165.9 100.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.27 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 55.6 p -151.26 139.99 20.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.969 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.881 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.25 100.08 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.502 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.5 128.3 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.626 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.3 m -47.37 143.27 3.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 0.0 110.461 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.97 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.0 177.61 1.5 Allowed Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.537 1.148 . . . . 0.0 108.303 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.713 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.98 -174.54 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.713 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 17.9 Cg_endo -75.1 116.11 4.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.536 1.809 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.498 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.75 -57.09 0.43 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.63 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 37.6 mp0 -67.17 105.65 1.77 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 0.773 . . . . 0.0 110.277 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -85.19 6.01 27.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.22 -170.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 1.006 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -104.04 -170.52 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.7 p90 -167.56 167.84 13.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.386 1.054 . . . . 0.0 111.068 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.695 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.79 98.65 3.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.253 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.713 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.36 155.44 24.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.7 mtt -149.75 149.27 30.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.95 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -165.58 -101.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.659 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.78 119.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 108.224 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 44.7 t0 -48.26 175.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.506 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -70.58 -2.28 13.72 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.422 1.076 . . . . 0.0 109.218 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' CYS . 4.5 m-85 -117.9 -12.73 10.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.624 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.3 t 38.4 60.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.6 m -59.17 175.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.8 m -74.26 -0.86 18.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.745 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 2.3 mmp_? -79.2 5.69 11.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.347 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.79 -125.93 7.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 111.059 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.95 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.7 OUTLIER -97.13 -168.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.563 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.79 -161.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.954 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.75 77.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.684 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.2 mt-10 -92.08 67.85 5.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.585 1.178 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.927 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.1 -176.92 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.458 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.27 -147.43 15.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.97 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 6.6 m -111.97 154.79 24.75 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.35 144.16 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.593 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -52.18 -46.91 65.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.593 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 27.4 p -160.38 163.15 33.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.421 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -35.72 97.85 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 108.301 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.044 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -4.58 15.62 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.328 1.699 . . . . 0.0 110.951 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.561 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -24.98 139.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 109.95 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.85 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.97 -114.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.6 1.187 . . . . 0.0 109.266 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.85 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 1.8 mptt -156.33 -52.44 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.72 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.95 -106.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.451 1.764 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.907 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.15 -52.45 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.733 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.0 mt-10 -37.4 72.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.232 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.907 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -86.65 90.36 8.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 1.044 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.84 158.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.55 -145.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.47 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 10.4 m -152.88 171.95 17.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 108.333 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.77 114.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.409 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 6.9 p -109.75 -35.18 6.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.783 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.68 165.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.544 1.152 . . . . 0.0 110.356 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.01 103.3 3.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 109.252 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' HG2' ' CB ' ' A' ' 13' ' ' ALA . 32.7 mttt 66.41 50.41 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.41 27.25 5.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 108.315 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.991 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.24 11.24 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.991 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.98 70.17 5.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.082 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 2.5 p80 -37.27 156.87 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.554 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.687 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 17.9 Cg_endo -75.01 103.15 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.513 1.797 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 1.082 ' CD ' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -163.31 -40.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.769 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 34.1 mt-30 -53.53 80.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.595 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -166.69 134.21 2.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 116.69 4.66 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 0.0 111.052 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.556 ' N ' ' C ' ' B' ' 14' ' ' ASP . 11.5 t60 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.658 ' NH1' ' CE2' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -160.89 172.45 16.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.175 . . . . 0.0 110.254 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.879 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -117.57 41.38 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.745 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.1 m-85 -56.5 175.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.389 1.056 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -88.76 40.33 0.97 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 36.2 t -143.29 -12.22 0.72 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.606 1.191 . . . . 0.0 110.088 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.638 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 41.5 t -170.37 170.63 7.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.66 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.4 tm? -126.09 -26.36 3.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' B' ' 11' ' ' TRP . 17.9 mm-40 -81.17 144.88 55.11 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 110.351 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.528 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -74.99 26.86 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.517 1.799 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.584 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.2 OUTLIER -125.38 -37.54 2.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 108.064 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.736 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 6.5 m-85 -95.09 -35.83 0.28 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.736 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.5 Cg_endo -75.08 -38.05 1.72 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.556 ' C ' ' N ' ' B' ' 1' ' ' HIS . 2.1 t70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.415 ' O ' HG23 ' A' ' 15' ' ' THR . 27.2 pt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.642 HG13 ' N ' ' A' ' 15' ' ' THR . 2.9 t -122.94 153.05 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.982 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.32 149.45 36.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 108.269 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.85 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.3 m-70 -84.56 145.73 27.91 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.385 1.053 . . . . 0.0 109.703 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.411 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.2 p -111.89 115.04 28.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.373 1.046 . . . . 0.0 110.375 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.967 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.29 -18.35 14.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.603 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -83.91 -49.82 8.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.411 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 0.9 OUTLIER -74.03 -103.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.349 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.96 -161.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.0 Cg_endo -75.07 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.765 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER 165.99 102.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.2 p -152.71 139.23 18.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.923 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.85 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.96 102.38 7.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.348 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.546 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -130.33 126.72 61.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 0.0 109.257 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.642 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.3 m -47.95 142.25 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.175 . . . . 0.0 110.351 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.996 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.28 178.28 1.41 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.318 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.742 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.0 Cg_endo -75.15 -173.5 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.742 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.07 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.503 1.791 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.519 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 154.91 -57.27 0.4 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.639 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.0 mp0 -66.95 103.89 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -83.6 6.49 20.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -174.42 -171.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.982 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -102.99 -169.5 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.193 . . . . 0.0 108.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.557 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 18.2 p90 -168.59 167.5 11.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.595 1.184 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.715 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.58 99.05 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.233 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.708 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.39 156.31 24.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -149.77 152.73 35.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.949 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.17 -100.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.643 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.47 118.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.147 . . . . 0.0 108.273 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.569 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 46.2 t0 -47.2 175.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.06 -0.39 9.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.376 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.6 m-85 -121.39 -10.91 8.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.58 1.175 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.607 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.4 t 38.27 61.79 1.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 108.302 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -61.33 175.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.5 m -73.02 -3.36 25.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.965 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.795 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.0 mmp_? -77.07 6.68 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.49 -125.26 7.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.113 . . . . 0.0 111.063 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.949 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -97.26 -168.93 1.77 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.481 0.754 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.569 ' CG2' ' N ' ' A' ' 30' ' ' ASP . 1.9 t -103.5 -163.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.926 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -152.93 76.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.687 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.1 mt-10 -91.42 68.56 5.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.915 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.41 -178.08 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.371 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.83 -146.69 13.46 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.996 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 5.1 m -112.54 154.88 25.27 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.402 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.69 144.6 4.29 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.58 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -52.33 -47.46 66.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.58 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 25.1 p -160.1 162.61 34.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.7 97.71 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.265 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.023 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -74.99 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.573 1.828 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.56 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.07 139.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.971 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.841 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.9 -115.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.841 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.08 -52.4 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.722 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -75.01 -106.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.432 1.754 . . . . 0.0 110.993 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.887 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.35 -53.64 5.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.734 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -36.08 73.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.887 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -86.98 89.83 8.13 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.6 1.187 . . . . 0.0 110.294 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 1.023 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.4 157.96 3.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.34 -145.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.5 m -153.49 172.38 17.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 108.306 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.162 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.15 114.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 108.269 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.402 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 14.7 p -109.09 -35.19 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.08 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.785 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.47 165.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.374 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.97 102.66 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.4 mttm 67.14 50.56 0.99 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.61 1.194 . . . . 0.0 109.306 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.162 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.89 27.23 5.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.997 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.84 9.54 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.997 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -75.01 69.2 5.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.544 1.812 . . . . 0.0 110.984 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.106 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -37.42 157.72 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.581 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.654 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.1 Cg_endo -75.06 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.41 1.742 . . . . 0.0 110.94 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 1.106 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.53 -44.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.54 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 46.7 mt-30 -56.48 83.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.684 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . 1.8 ttt-85 -143.97 -61.47 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.684 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.3 Cg_endo -75.01 61.23 5.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.772 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' B' ' 9' ' ' GLU . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.536 1.147 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.526 ' N ' ' C ' ' B' ' 14' ' ' ASP . 13.4 t-80 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.673 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -159.52 167.2 29.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.967 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.89 49.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 1.07 . . . . 0.0 111.069 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.795 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -58.53 -166.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.92 40.1 1.65 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 38.4 t -146.64 -10.83 0.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.44 1.088 . . . . 0.0 110.065 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.611 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 29.1 t -167.34 170.82 11.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.632 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.6 tm? -129.44 -18.38 3.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.507 ' C ' ' H ' ' B' ' 11' ' ' TRP . 5.2 mm-40 -86.08 143.48 37.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.516 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.03 29.3 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.599 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.6 t90 -126.8 -37.96 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 108.019 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.737 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 49.3 m-85 -94.54 -35.53 0.3 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.737 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.7 Cg_endo -74.92 -40.38 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.767 . . . . 0.0 111.061 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.526 ' C ' ' N ' ' B' ' 1' ' ' HIS . 2.2 t0 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.467 ' CD1' ' HA ' ' A' ' 61' ' ' SER . 27.5 pt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.614 HG13 ' N ' ' A' ' 15' ' ' THR . 3.1 t -123.79 156.02 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.998 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.75 150.44 37.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 108.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.874 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.0 m-70 -84.96 146.95 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.435 ' HB ' ' OG1' ' A' ' 8' ' ' THR . 1.3 p -114.51 115.15 26.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.884 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.22 -24.53 14.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.337 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.514 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -77.57 -51.2 11.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.435 ' OG1' ' HB ' ' A' ' 5' ' ' THR . 1.0 OUTLIER -72.3 -104.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.472 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.85 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.1 -161.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.978 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.85 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.95 -54.83 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.504 1.791 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.918 HD11 ' HE2' ' A' ' 68' ' ' HIS . 0.1 OUTLIER 165.79 100.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.423 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.6 p -152.69 141.16 20.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.874 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.58 99.86 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.523 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -125.78 127.45 71.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.614 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.8 m -47.01 142.92 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.454 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.976 ' HB2' ' HG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.86 177.65 1.46 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 108.299 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.719 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.4 Cg_endo -75.0 -174.32 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.719 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -75.11 117.26 4.82 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.527 1.803 . . . . 0.0 110.969 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.528 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 151.28 -57.22 0.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.658 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 3.7 mp0 -66.12 104.45 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 110.326 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -85.11 9.32 15.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.769 HD11 ' SG ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -176.48 -168.28 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.632 1.208 . . . . 0.0 109.252 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.998 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -106.38 -170.76 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 108.345 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.537 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 17.3 p90 -166.35 168.06 15.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.696 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -137.48 100.39 4.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.687 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -84.45 155.38 22.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.335 1.022 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.457 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.6 mtt -149.54 150.24 31.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.97 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.26 -101.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 108.112 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.655 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.09 120.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.51 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 45.1 t0 -48.99 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.51 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -69.89 -3.03 14.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.474 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.7 m-85 -115.28 -14.14 11.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 111.043 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.657 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 1.7 t 35.59 61.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.384 1.052 . . . . 0.0 108.364 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.7 m -67.28 176.58 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -68.72 -5.4 20.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.755 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 5.3 mmm180 -72.6 2.7 5.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.402 ' C ' ' HD3' ' A' ' 38' ' ' LYS . . . 86.33 -127.03 8.13 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.444 1.09 . . . . 0.0 111.017 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.97 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.3 OUTLIER -97.34 -168.62 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 0.799 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.548 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -105.7 -162.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.948 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.29 77.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.539 1.149 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.687 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.4 mt-10 -92.31 67.77 4.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 110.272 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.92 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -65.58 -175.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.502 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 156.57 -148.3 18.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.559 1.162 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . 0.976 ' HG ' ' HB2' ' A' ' 16' ' ' CYS . 8.4 m -110.14 155.75 21.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.464 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -171.5 143.52 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.373 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.59 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -51.31 -46.73 62.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.59 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 40.6 p -159.76 161.61 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.856 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.9 OUTLIER -37.68 99.28 0.18 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.592 1.183 . . . . 0.0 108.326 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 1.009 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.08 0.89 8.39 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.409 1.742 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.546 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -26.87 140.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.839 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -95.25 -114.15 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.839 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -155.99 -52.87 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.727 ' HD3' ' HB2' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.0 -106.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.909 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -82.79 -52.88 6.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 111.052 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.701 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -37.39 72.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.909 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.1 OUTLIER -86.81 88.5 7.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.188 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 1.009 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.15 158.42 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.466 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 1.3 m -131.76 -154.43 0.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . 0.856 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 1.2 m -141.43 176.64 8.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 108.27 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 176.63 112.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.097 . . . . 0.0 108.289 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.467 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 8.7 p -109.0 -36.09 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 109.927 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.778 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -47.67 162.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.366 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.74 104.14 1.58 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.218 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.504 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 17.8 mttm 64.1 51.24 2.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.7 p -98.45 26.95 5.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 108.368 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.992 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.84 11.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.992 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -74.93 70.53 5.22 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 1.086 ' O ' ' CD ' ' A' ' 70' ' ' LYS . 2.4 p80 -37.68 156.41 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.551 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.696 ' C ' ' HD3' ' A' ' 70' ' ' LYS . 18.1 Cg_endo -75.06 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.569 1.826 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 1.086 ' CD ' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -163.29 -39.78 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.682 HE21 ' HZ3' ' A' ' 70' ' ' LYS . 34.0 mt-30 -52.26 80.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 70' ' ' LYS . 2.3 ttm-85 -165.49 132.19 2.18 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.492 ' HA ' ' CE2' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.89 114.19 3.97 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.51 1.795 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.917 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' HIS . . . . . 0.55 ' HA ' ' HA ' ' B' ' 10' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ARG . . . . . 0.659 ' NH1' ' CE2' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -158.99 173.69 16.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.884 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -118.4 40.3 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' TYR . . . . . 0.755 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.2 m-85 -54.47 177.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.499 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 2.3 pt-20 -91.53 34.48 0.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' SER . . . . . 0.488 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 36.0 t -138.58 -6.84 1.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.644 1.215 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.629 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 42.2 t -174.52 170.48 3.5 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.459 1.099 . . . . 0.0 109.93 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.667 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.4 tm? -126.96 -26.4 3.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' B' ' 11' ' ' TRP . 5.0 mm-40 -81.31 145.13 55.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' PRO . . . . . 0.55 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.02 26.32 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' TRP . . . . . 0.584 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.8 t-105 -124.89 -37.72 2.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 108.026 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.734 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 7.7 m-85 -94.56 -36.13 0.3 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' PRO . . . . . 0.734 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -75.0 -38.72 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ASP . . . . . 0.546 ' C ' ' N ' ' B' ' 1' ' ' HIS . 2.8 t0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.585 HD11 ' HA ' ' A' ' 22' ' ' LEU . 28.7 pt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.615 HG13 ' N ' ' A' ' 15' ' ' THR . 3.6 t -125.61 158.3 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.996 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -146.53 150.18 35.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 108.332 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.85 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.5 m80 -84.3 147.61 27.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -113.05 114.3 26.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.932 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.15 -16.71 15.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.571 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -85.19 -49.56 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.89 -104.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.359 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.848 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -62.81 -161.64 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.848 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.7 Cg_endo -74.97 -54.53 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.468 1.773 . . . . 0.0 111.081 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.095 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.23 103.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 109.365 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.426 ' O ' HG13 ' A' ' 14' ' ' VAL . 51.8 p -154.76 139.58 17.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.6 1.188 . . . . 0.0 109.934 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.85 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.77 99.03 4.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.559 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.05 127.99 71.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.226 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.615 ' N ' HG13 ' A' ' 2' ' ' VAL . 9.4 m -48.25 141.98 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.778 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.91 178.6 1.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.743 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.91 -174.21 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.532 1.807 . . . . 0.0 111.058 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.743 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 115.78 4.39 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.0 -55.96 0.45 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.453 1.095 . . . . 0.0 110.966 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.667 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 33.4 mp0 -66.42 105.33 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 0.746 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.431 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.7 m-20 -86.14 7.18 25.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.775 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -174.66 -170.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.996 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -104.14 -171.58 1.96 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 108.243 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 19.1 p90 -166.9 167.93 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.955 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.917 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -136.83 98.78 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.361 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.782 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.31 155.98 24.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.6 mtt -149.87 149.44 30.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.967 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.16 -101.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.69 119.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 108.218 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.512 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 40.8 t0 -48.21 178.04 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.66 -0.76 13.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.398 1.061 . . . . 0.0 109.252 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.5 m-85 -119.71 -11.86 9.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.62 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 4.0 t 37.5 59.14 1.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.8 m -59.51 176.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.046 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -73.04 -2.42 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.942 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.814 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -76.99 3.8 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.239 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.94 -124.18 7.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.967 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -97.95 -168.86 1.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 0.74 . . . . 0.0 109.371 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.799 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.68 -162.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.126 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.5 75.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.659 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.7 mt-10 -90.13 68.28 7.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.939 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.68 -179.34 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.231 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.498 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.58 -146.75 13.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.778 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 4.8 m -112.15 155.32 24.12 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.77 144.92 4.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.633 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.84 -46.96 68.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.224 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.7 p -160.57 162.47 32.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.442 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.84 97.66 0.13 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.36 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 1.044 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -74.95 -4.57 15.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.45 1.763 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.11 139.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.923 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.841 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.85 -114.93 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.841 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -155.93 -52.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.737 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.2 Cg_endo -75.0 -107.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.792 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.894 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.4 p90 -82.39 -53.13 6.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.74 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.6 mt-10 -36.63 72.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.894 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -87.08 90.57 8.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 110.23 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.044 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.6 t -98.43 158.03 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.233 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.57 -145.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.587 1.179 . . . . 0.0 110.386 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.3 m -153.16 171.98 17.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.374 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.95 114.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 108.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.498 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 24.6 p -110.02 -34.52 6.39 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.783 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.3 165.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.7 103.54 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.487 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.8 mttm 65.31 50.99 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.36 27.34 5.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 108.291 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 1.0 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.78 9.57 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.0 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.95 69.42 5.51 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.4 1.737 . . . . 0.0 111.042 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.132 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.7 p80 -37.83 158.04 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.571 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.648 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -74.98 104.59 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.522 1.801 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 1.132 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.99 -40.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.579 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 33.8 mt-30 -57.05 78.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.371 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 70' ' ' LYS . 46.2 ttt180 -167.96 141.27 2.69 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.3 Cg_endo -75.04 108.75 2.79 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.563 1.164 . . . . 0.0 110.985 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' HIS . . . . . 0.769 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 3.4 t-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.673 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -172.6 168.11 5.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.932 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.72 49.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.602 1.189 . . . . 0.0 110.999 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.814 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.4 m-85 -58.8 -165.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.51 39.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.274 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 6' ' ' SER . . . . . 0.429 ' CB ' ' NE ' ' A' ' 36' ' ' ARG . 13.0 t -148.68 -4.61 0.44 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.643 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 15.6 t -173.09 166.89 4.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 1.095 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -125.83 -23.17 4.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.093 . . . . 0.0 109.359 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.513 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.0 mm-40 -83.4 144.04 45.71 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.509 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -74.92 24.88 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' TRP . . . . . 0.588 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.3 t-105 -124.65 -34.5 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.741 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.2 m-30 -96.68 -35.75 0.27 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.741 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.1 Cg_endo -75.01 -37.47 2.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.602 1.843 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.769 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 2.2 t0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.233 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 22' ' ' LEU . 32.2 pt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.641 HG13 ' N ' ' A' ' 15' ' ' THR . 3.2 t -127.09 155.79 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.83 149.93 36.26 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 108.286 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.848 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.2 m80 -84.78 145.87 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.556 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -111.41 114.58 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.938 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.53 -16.11 15.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.449 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.584 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -86.11 -49.01 8.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.97 -103.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.854 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.55 -161.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.854 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.97 -54.62 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.498 1.789 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.088 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.98 103.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.423 ' O ' HG13 ' A' ' 14' ' ' VAL . 52.9 p -154.09 138.95 17.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.039 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.848 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.68 99.97 5.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.625 1.203 . . . . 0.0 109.256 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.566 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.66 127.13 68.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.641 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.3 m -48.05 142.56 5.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.772 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.63 178.42 1.35 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 108.333 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.759 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.6 Cg_endo -74.89 -173.63 1.62 Allowed 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.759 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 114.31 4.0 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.359 1.715 . . . . 0.0 111.055 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.44 -56.34 0.43 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.675 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 12.9 mp0 -66.57 103.71 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.594 0.82 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.428 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.7 m-20 -83.98 5.76 24.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -173.65 -171.37 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.06 -170.8 1.84 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 0.0 108.282 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.516 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.4 p90 -167.79 167.29 13.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.93 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.27 98.93 3.97 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.549 1.156 . . . . 0.0 110.346 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.762 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.5 156.14 24.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.453 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.13 150.81 32.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.965 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.27 -101.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 107.997 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.668 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.41 118.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 108.337 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.504 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 42.3 t0 -47.07 177.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.64 -0.65 13.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.6 m-85 -120.72 -10.21 9.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.604 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 3.1 t 37.1 62.43 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.9 m -60.55 175.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.687 ' CB ' HH21 ' A' ' 36' ' ' ARG . 47.4 m -72.8 -4.73 33.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.77 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.1 mmp_? -76.04 5.51 6.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.05 -124.59 7.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.614 1.196 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.965 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -97.08 -169.41 1.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.235 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.789 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.42 -161.73 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.138 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.93 76.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.661 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.8 mt-10 -90.62 68.33 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.957 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.54 -178.34 0.68 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.422 1.076 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.65 -146.91 13.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.772 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.1 m -112.14 155.13 24.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.445 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.46 144.93 4.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.402 1.064 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.71 -47.58 67.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 46' ' ' ALA . 25.1 p -160.35 161.07 33.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.627 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.03 97.68 0.12 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 108.303 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 1.035 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.98 -5.06 16.32 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.446 1.761 . . . . 0.0 110.992 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.56 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -24.86 139.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.852 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.91 -114.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.371 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.852 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.29 -52.35 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.07 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.741 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.94 -106.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.901 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.25 -53.67 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.73 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -36.14 72.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.901 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -86.46 90.71 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.035 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.4 t -98.56 158.11 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -127.4 -144.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.627 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.3 m -154.36 171.86 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 108.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.76 114.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.338 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.431 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 18.9 p -110.25 -33.88 6.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.153 . . . . 0.0 110.056 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.788 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.64 166.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.385 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.68 103.33 3.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.483 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.2 mttm 65.53 51.2 1.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.593 1.183 . . . . 0.0 109.308 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -99.78 27.39 5.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 108.31 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.999 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.16 9.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.999 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.94 69.66 5.44 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.452 1.764 . . . . 0.0 111.098 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.138 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.9 p80 -38.32 158.11 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.629 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.649 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -75.04 104.81 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 111.05 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 1.124 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.87 -41.05 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 109.263 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.56 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 32.9 mt-30 -54.56 79.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.325 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -164.58 132.78 2.61 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.38 3.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.942 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' HIS . . . . . 0.549 ' H2 ' ' C ' ' B' ' 14' ' ' ASP . 28.6 t-80 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.688 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -166.0 167.49 16.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.938 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.15 49.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.77 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -59.39 -166.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.935 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.5 39.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.72 -3.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.656 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 18.8 t -174.18 167.03 4.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.911 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 1.088 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.6 tm? -126.58 -23.11 3.81 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.6 mm-40 -83.73 145.03 46.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.356 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.54 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -74.95 24.07 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.415 1.745 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' TRP . . . . . 0.606 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.3 OUTLIER -123.33 -38.18 2.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 108.077 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.74 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 7.0 m-85 -92.79 -35.91 0.34 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.74 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.5 Cg_endo -74.88 -37.97 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.522 1.801 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.549 ' C ' ' H2 ' ' B' ' 1' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.567 HD11 ' HA ' ' A' ' 22' ' ' LEU . 28.0 pt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.611 HG13 ' N ' ' A' ' 15' ' ' THR . 3.4 t -125.48 156.11 34.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.983 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.4 m -144.92 149.58 35.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.838 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.1 m80 -83.14 146.61 28.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -112.2 114.62 27.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.349 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.943 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.24 -17.31 15.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.426 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.569 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.74 -49.08 8.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.0 -104.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.852 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.14 -161.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.071 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.852 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.97 -55.25 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.477 1.778 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.095 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.88 103.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.243 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.459 ' O ' HG13 ' A' ' 14' ' ' VAL . 52.5 p -156.01 138.84 15.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.838 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -75.48 98.59 3.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.533 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.3 128.15 71.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.611 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.1 m -47.22 142.75 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.792 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -99.37 178.85 1.17 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.573 1.171 . . . . 0.0 108.318 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.731 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -74.99 -174.67 2.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 0.0 111.029 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.731 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 118.69 5.36 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 149.13 -55.03 0.49 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.626 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 37.3 mp0 -67.71 106.64 2.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.589 0.817 . . . . 0.0 110.243 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.4 m-20 -87.01 5.2 38.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -172.06 -171.35 0.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.983 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.8 m -103.02 -171.7 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.523 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 19.2 p90 -167.24 167.9 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.927 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.99 98.97 3.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.77 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.46 155.82 24.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.385 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.62 149.34 30.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.97 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.47 -101.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.143 . . . . 0.0 107.969 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.46 121.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 108.329 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.549 ' OD1' ' NE ' ' B' ' 2' ' ' ARG . 42.3 t0 -49.61 178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.02 -1.4 14.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.6 m-85 -116.97 -14.8 10.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.951 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.674 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 1.7 t 35.51 60.58 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 108.329 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.4 m -72.8 177.06 5.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.436 ' C ' ' H ' ' A' ' 37' ' ' GLY . 11.1 m -64.25 -9.5 17.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.034 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.765 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 9.5 mmm180 -67.65 1.49 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 84.23 -129.37 9.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.42 1.075 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.97 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -96.01 -168.2 1.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.792 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -106.45 -162.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.135 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.22 76.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.349 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.66 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.7 mt-10 -90.33 68.98 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.959 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.89 -176.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.193 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 156.45 -148.36 18.17 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.582 1.176 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.845 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 25.9 m -111.27 154.06 25.02 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.03 144.75 5.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.303 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' ' 47' ' ' THR . . . -51.79 -48.03 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.3 p -160.4 161.59 33.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.54 97.45 0.11 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 1.036 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.4 Cg_endo -74.97 -4.82 15.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.473 1.775 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.564 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -24.82 139.61 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.862 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.41 -114.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.862 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.61 -52.44 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.734 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.9 -107.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.559 1.821 . . . . 0.0 110.988 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.906 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.51 -53.18 6.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.744 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.7 mt-10 -36.52 72.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.906 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -86.25 89.64 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.036 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.65 157.99 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.8 -146.22 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 13.1 m -152.46 172.35 16.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 108.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.202 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.52 115.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 108.394 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.494 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 33.6 p -110.58 -35.26 6.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.92 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.775 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.83 165.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.434 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.87 104.48 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.336 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.476 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 38.0 mttt 64.47 51.32 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 1.202 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.88 27.41 5.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 108.258 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.997 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.11 10.12 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.997 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -74.9 69.29 5.5 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.45 1.763 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.14 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.9 p80 -38.24 157.78 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.633 1.208 . . . . 0.0 109.684 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.652 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.98 105.12 2.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.812 . . . . 0.0 111.059 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 1.14 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -160.44 -40.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.399 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.581 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 31.7 mt-30 -54.91 79.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' A' ' 70' ' ' LYS . 3.2 ttt180 -163.28 133.03 3.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 114.36 4.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.956 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' HIS . . . . . 0.57 ' H2 ' ' C ' ' B' ' 14' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.686 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -164.82 167.94 18.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.083 . . . . 0.0 110.299 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.943 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.58 48.5 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 111.052 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.765 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.5 m-85 -56.37 -165.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 6.4 pt-20 -107.07 34.47 3.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 1.18 . . . . 0.0 110.363 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' SER . . . . . 0.424 ' HB3' ' NE ' ' A' ' 36' ' ' ARG . 40.8 t -145.18 -0.35 0.88 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.689 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 14.3 t -175.0 166.44 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.092 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 1.095 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -127.26 -24.26 3.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.621 1.201 . . . . 0.0 109.329 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' B' ' 11' ' ' TRP . 5.7 mm-40 -81.85 144.8 52.46 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.535 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.3 Cg_endo -75.02 25.12 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' TRP . . . . . 0.612 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 3.8 t-105 -125.22 -37.74 2.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.741 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.6 m-85 -93.03 -35.53 0.33 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.741 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.93 -39.5 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.542 1.812 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.57 ' C ' ' H2 ' ' B' ' 1' ' ' HIS . 6.7 t70 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 109.239 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.641 HD11 ' HA ' ' A' ' 22' ' ' LEU . 32.6 pt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.638 HG13 ' N ' ' A' ' 15' ' ' THR . 3.3 t -126.69 155.07 37.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.23 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.6 150.58 37.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.15 . . . . 0.0 108.342 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.863 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.1 m80 -85.82 145.99 26.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.607 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -111.69 115.08 28.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.437 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.951 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.74 -17.34 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.616 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.77 -49.49 8.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.43 -103.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.43 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.855 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.81 -161.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.045 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.855 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.95 -54.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.05 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.103 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.02 103.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.407 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.3 p -153.16 138.68 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.863 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -77.11 100.72 5.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.58 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -128.96 127.16 65.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.195 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.638 ' N ' HG13 ' A' ' 2' ' ' VAL . 8.6 m -48.15 142.21 5.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.774 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.12 178.46 1.36 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 108.188 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.765 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.98 -173.4 1.55 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.425 1.75 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.765 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.0 114.58 4.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.34 -56.29 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.672 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 7.7 mp0 -67.37 103.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.424 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.3 m-20 -83.41 5.62 22.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.3 -171.36 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.411 1.069 . . . . 0.0 109.311 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.34 -170.01 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 108.415 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.53 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 19.2 p90 -168.3 167.84 11.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.948 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.69 98.58 3.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.085 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.757 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -81.97 156.23 24.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -150.12 151.51 33.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.95 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.78 -100.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.059 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.689 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -178.26 117.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 108.339 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 46.7 t0 -48.66 175.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.511 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -69.93 -2.08 11.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.7 m-85 -117.01 -13.04 10.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.598 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 4.6 t 37.71 60.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 108.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.8 m -59.86 174.36 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.936 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 m -71.66 -4.36 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.941 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.746 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.3 mmp_? -76.1 5.94 6.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.42 -125.29 7.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.95 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -96.5 -169.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.797 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.11 -162.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.127 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.51 76.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.368 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.683 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 2.9 mt-10 -91.4 68.07 5.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 110.267 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.953 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -65.86 -177.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.38 -146.85 13.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.774 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.8 m -112.37 155.24 24.48 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.451 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.81 144.55 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.608 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.41 -47.82 66.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.9 p -160.06 161.26 33.88 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.37 97.65 0.12 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.24 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 1.045 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -74.99 -5.26 16.58 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.577 1.83 . . . . 0.0 111.076 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -24.1 139.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.056 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.842 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.64 -114.77 0.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.435 1.084 . . . . 0.0 109.255 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.842 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.03 -52.65 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.738 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -74.85 -106.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.901 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.76 -53.26 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.734 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.8 mt-10 -36.54 72.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.901 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -86.58 90.08 8.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 110.259 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.045 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.4 t -97.48 158.41 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.5 m -127.78 -145.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.2 m -153.54 172.04 17.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 108.306 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.6 114.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 108.325 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 6.4 p -110.4 -34.38 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.09 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.49 165.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.431 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.19 103.82 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.482 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 38.7 mttt 65.2 51.0 1.7 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.542 1.152 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.78 27.34 5.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.232 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 1.0 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.99 9.48 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.0 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.87 69.66 5.39 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.534 1.807 . . . . 0.0 111.065 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.127 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.7 p80 -38.2 158.13 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.506 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.662 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -75.0 104.65 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.557 1.819 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 1.118 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.2 -41.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.541 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 32.0 mt-30 -55.56 80.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 70' ' ' LYS . 51.4 ttp180 -168.85 140.54 2.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.318 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -75.11 112.72 3.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.478 1.112 . . . . 0.0 110.946 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' HIS . . . . . 0.666 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 1.8 t-80 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.698 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -162.16 168.34 22.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.614 1.196 . . . . 0.0 110.242 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.951 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.63 49.87 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.746 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -59.88 -166.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.513 ' CG ' ' O ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.36 38.94 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 6' ' ' SER . . . . . 0.455 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 33.1 t -146.4 -5.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.622 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 13.5 t -172.99 169.05 4.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.914 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 1.103 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -127.87 -21.34 3.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' B' ' 11' ' ' TRP . 1.3 mt-10 -85.27 144.53 41.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.55 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -74.99 26.0 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' TRP . . . . . 0.608 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.3 OUTLIER -124.64 -37.41 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.0 m-85 -94.31 -35.49 0.3 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.92 -38.97 1.39 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.545 1.813 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.666 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 3.5 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.556 HD11 ' HA ' ' A' ' 22' ' ' LEU . 30.1 pt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.591 HG13 ' N ' ' A' ' 15' ' ' THR . 2.9 t -124.75 157.15 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 1.007 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.7 m -146.06 149.87 34.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.834 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.1 m80 -83.33 147.68 27.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.624 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -113.32 114.44 26.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.952 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.1 -16.88 15.63 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.544 1.152 . . . . 0.0 110.378 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.6 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -85.2 -49.2 8.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.86 -104.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.852 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.07 -161.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.852 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.95 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.114 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.49 104.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.435 ' O ' HG13 ' A' ' 14' ' ' VAL . 51.4 p -157.01 139.78 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.834 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.14 97.83 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.5 ' C ' HG13 ' A' ' 2' ' ' VAL . 1.0 OUTLIER -124.61 129.5 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.591 ' N ' HG13 ' A' ' 2' ' ' VAL . 5.1 m -48.16 143.08 4.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.369 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.787 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.5 178.99 1.1 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.378 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.716 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.1 Cg_endo -75.01 -175.15 2.22 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.57 1.826 . . . . 0.0 110.974 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.716 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.5 Cg_endo -75.05 118.81 5.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.571 1.827 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 149.22 -55.67 0.49 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.641 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 36.7 mp0 -66.49 106.1 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 0.817 . . . . 0.0 110.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.417 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.6 m-20 -86.68 5.29 36.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -172.23 -171.55 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 1.007 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.8 m -102.54 -172.22 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 108.24 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.525 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.9 p90 -167.03 167.52 14.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.972 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.49 99.27 4.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.769 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.86 157.05 23.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.226 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.487 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.35 152.95 35.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.596 1.185 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.976 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.58 -101.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 107.967 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.664 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.36 121.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 108.239 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.55 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 42.4 t0 -49.42 177.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.85 -1.65 14.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.3 m-85 -116.93 -13.94 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.66 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 1.9 t 35.45 60.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 108.282 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.0 m -71.52 175.9 5.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.428 ' C ' ' H ' ' A' ' 37' ' ' GLY . 14.0 m -64.68 -8.8 15.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.756 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 8.7 mmm180 -68.25 1.53 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 85.09 -127.94 8.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.976 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -97.05 -169.12 1.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 0.76 . . . . 0.0 109.355 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.797 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -105.05 -163.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.127 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -152.45 77.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 0.0 109.23 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.677 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -92.62 70.11 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.972 HD23 ' HG2' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -67.25 -176.7 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.381 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 156.86 -148.96 19.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.377 1.048 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 23.9 m -110.94 153.54 25.37 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.414 ' N ' ' HB3' ' A' ' 20' ' ' GLU . . . -165.61 145.64 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.353 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.72 -47.83 67.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.9 p -160.58 162.16 32.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.509 1.131 . . . . 0.0 110.468 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.625 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.91 97.11 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.322 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 1.048 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.4 Cg_endo -74.88 -4.65 15.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.521 1.8 . . . . 0.0 111.049 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.558 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -25.3 139.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.927 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.848 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.19 -114.62 0.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.848 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -156.17 -52.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.392 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.732 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.1 Cg_endo -75.0 -107.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.898 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.51 -52.96 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.738 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.0 mt-10 -36.91 72.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.898 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -86.76 90.42 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 110.233 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.048 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.29 158.18 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.344 1.028 . . . . 0.0 109.284 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.74 -146.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.456 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.625 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.8 m -152.64 172.29 16.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 108.252 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.204 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 178.82 115.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.456 1.097 . . . . 0.0 108.381 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.495 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 24.7 p -109.63 -35.09 6.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.79 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.44 164.01 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.44 103.13 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HG2' ' CB ' ' A' ' 13' ' ' ALA . 72.0 mttt 66.63 50.32 1.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.373 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 1.204 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.7 p -99.91 28.45 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.331 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.994 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.88 10.44 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.994 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.99 69.6 5.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.134 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -38.37 158.27 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.65 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.635 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.5 Cg_endo -74.91 104.18 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.536 1.808 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 1.134 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.5 -40.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.544 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 30.7 mt-30 -56.47 78.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.411 1.069 . . . . 0.0 110.349 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 70' ' ' LYS . 55.9 ttt180 -167.36 141.38 3.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -75.03 112.72 3.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.436 1.756 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' HIS . . . . . 0.654 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 13.1 t-80 . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.68 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -169.48 167.87 9.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.135 . . . . 0.0 110.411 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.952 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.61 48.16 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.756 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.6 m-85 -56.15 -165.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 7.0 pt-20 -106.57 32.25 4.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' SER . . . . . 0.515 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 17.7 t -142.2 -0.24 1.29 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.68 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 31.0 t -176.18 167.53 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 1.114 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.4 tm? -126.6 -27.31 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' B' ' 11' ' ' TRP . 4.6 mm-40 -79.39 144.12 61.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.526 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -74.94 24.78 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' TRP . . . . . 0.612 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.9 OUTLIER -123.33 -38.43 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 107.994 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.6 m-30 -93.65 -35.48 0.32 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.99 -37.25 2.11 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.497 1.788 . . . . 0.0 111.054 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.654 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 2.7 t0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.61 HD11 ' HA ' ' A' ' 22' ' ' LEU . 28.2 pt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.623 HG13 ' N ' ' A' ' 15' ' ' THR . 3.3 t -125.74 157.36 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.97 150.23 35.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 108.293 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.847 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.0 m80 -84.9 147.12 26.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.565 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -113.02 115.49 28.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.966 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.52 -17.91 15.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.612 1.195 . . . . 0.0 110.478 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.26 -49.72 8.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.14 -103.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.414 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.858 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -64.03 -161.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.969 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.858 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.6 Cg_endo -75.07 -54.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.779 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.106 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.06 102.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.445 ' O ' HG13 ' A' ' 14' ' ' VAL . 59.1 p -153.92 138.94 17.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.618 1.199 . . . . 0.0 109.929 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.847 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.21 100.03 4.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.565 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.55 128.0 69.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.588 1.18 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.623 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.0 m -47.85 142.7 4.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.471 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.768 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.76 178.93 1.16 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 108.347 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.738 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.0 -174.56 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.738 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.99 115.1 4.19 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.502 1.79 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.89 -56.37 0.43 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.409 1.068 . . . . 0.0 111.031 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.654 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 41.1 mp0 -66.54 104.43 1.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 0.755 . . . . 0.0 110.35 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.9 m-20 -84.62 5.97 25.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.12 -170.8 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.602 1.189 . . . . 0.0 109.255 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.76 -170.96 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.345 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.537 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.1 p90 -167.59 167.51 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.934 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.48 99.19 4.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.342 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.771 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.58 156.76 23.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.48 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -150.3 151.63 33.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.975 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -168.5 -101.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 107.991 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.65 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.57 120.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 108.302 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.542 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.5 t0 -49.4 177.96 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.524 1.14 . . . . 0.0 109.215 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.37 -0.76 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.611 1.194 . . . . 0.0 109.247 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.9 m-85 -117.92 -13.78 10.05 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.572 1.17 . . . . 0.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.638 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 2.8 t 35.97 60.29 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -67.9 175.87 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.946 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.5 m -67.25 -6.66 19.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 110.048 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.77 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 6.0 mmm180 -71.19 2.67 4.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.7 -128.2 8.66 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.528 1.143 . . . . 0.0 111.063 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.975 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -96.24 -169.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.805 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.57 -163.78 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.124 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -152.53 77.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.687 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 2.9 mt-10 -92.0 69.69 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 0.0 110.241 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.956 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -67.72 -179.0 1.03 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.626 1.204 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.88 -145.92 11.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.58 1.175 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.768 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.7 m -113.49 154.13 27.55 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.59 144.65 5.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.01 -47.16 65.1 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.8 p -160.71 161.95 32.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.632 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.81 97.51 0.12 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 108.299 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 1.024 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.01 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -25.23 139.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.082 . . . . 0.0 110.031 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.855 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.36 -114.54 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.388 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.855 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.63 -52.29 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.737 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.95 -106.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.883 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.35 -53.15 5.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.743 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.7 mt-10 -36.26 73.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.883 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -86.92 90.74 8.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.236 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.024 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.59 158.26 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.93 -146.25 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.351 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.632 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.3 m -152.6 171.75 17.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 108.384 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.164 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.9 115.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 108.291 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.493 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 23.0 p -110.9 -35.33 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.971 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.35 165.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.3 103.46 2.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 18.4 mttm 65.37 51.32 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.162 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 1.164 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.91 27.62 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 108.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.995 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.07 9.48 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.18 . . . . 0.0 109.285 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.995 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.9 69.52 5.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.553 1.817 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.124 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.7 p80 -38.1 157.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.069 . . . . 0.0 109.631 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.664 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -75.01 104.34 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.562 1.822 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 1.105 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -162.22 -37.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.58 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 33.6 mt-30 -60.39 61.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.661 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -99.07 -53.95 0.19 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.162 . . . . 0.0 110.345 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.599 ' HB2' ' CE2' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.96 -163.04 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.771 . . . . 0.0 111.064 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.428 1.08 . . . . 0.0 110.989 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' HIS . . . . . 0.627 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 3.4 p-80 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.683 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -163.86 167.21 21.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.361 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.966 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.14 49.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.893 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.77 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -57.45 -165.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 1.7 pt-20 -106.91 34.7 3.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' SER . . . . . 0.516 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 12.6 t -144.6 -3.51 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.953 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.614 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 19.6 t -172.66 165.56 5.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.017 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 1.106 HD21 ' CD1' ' A' ' 11' ' ' ILE . 2.0 tm? -126.28 -23.58 3.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.518 ' C ' ' H ' ' B' ' 11' ' ' TRP . 75.3 mm-40 -81.86 143.97 50.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 110.364 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.522 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.5 Cg_endo -74.97 27.83 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.462 1.769 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' TRP . . . . . 0.622 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.7 OUTLIER -126.84 -38.18 2.06 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 45.2 m-85 -94.0 -34.95 0.31 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.98 -42.0 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.407 1.741 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.627 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 3.5 t0 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.399 1.062 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.637 HD11 ' HA ' ' A' ' 22' ' ' LEU . 32.6 pt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.629 HG13 ' N ' ' A' ' 15' ' ' THR . 3.4 t -126.71 156.04 37.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.43 148.92 33.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.85 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 8.8 m80 -84.11 146.15 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.41 1.068 . . . . 0.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -112.45 115.12 28.18 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.138 . . . . 0.0 110.428 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.944 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.1 -18.74 14.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.404 1.065 . . . . 0.0 110.408 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -83.29 -50.24 8.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.7 -103.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.17 . . . . 0.0 110.466 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.853 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.74 -161.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.081 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.853 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -75.01 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.438 1.757 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.083 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.4 102.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' HG13 ' A' ' 14' ' ' VAL . 57.8 p -153.79 139.26 17.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.85 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -77.08 100.68 5.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.093 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.58 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -128.8 126.87 65.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 109.334 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.629 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.6 m -47.66 142.4 4.57 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.559 1.162 . . . . 0.0 110.419 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.79 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.42 179.06 1.17 Allowed Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.109 . . . . 0.0 108.311 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.748 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.96 -174.19 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.748 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.89 114.44 4.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.56 -56.75 0.42 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.48 1.112 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.642 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.5 mp0 -66.53 104.55 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.309 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.414 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.5 m-20 -84.52 6.3 24.17 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.387 1.054 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.56 -171.36 0.67 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -103.31 -169.93 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.596 1.185 . . . . 0.0 108.354 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.533 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.9 p90 -168.54 167.37 11.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.928 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.29 99.03 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.761 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.36 156.7 24.08 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.363 1.039 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -150.36 150.83 31.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.978 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -167.66 -101.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 107.979 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.655 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.28 119.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 108.317 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.529 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.4 t0 -48.63 177.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.14 -0.97 13.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.8 m-85 -118.53 -12.0 9.85 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.627 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 3.0 t 36.62 60.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 108.284 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.1 m -63.1 176.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 0.0 109.975 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.8 m -71.48 -4.36 26.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.045 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.806 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.1 mmm180 -74.76 4.61 6.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.59 -125.43 7.41 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.978 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -97.24 -168.51 1.71 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 0.807 . . . . 0.0 109.387 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.806 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -104.55 -162.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.187 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.131 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.78 77.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.686 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 2.8 mt-10 -92.02 68.98 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.965 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.95 -178.8 0.81 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.28 -147.56 15.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.412 1.07 . . . . 0.0 111.067 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.79 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.6 m -111.42 154.96 23.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.74 144.41 4.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.573 ' O ' HG23 ' A' ' 47' ' ' THR . . . -51.95 -48.03 64.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 46' ' ' ALA . 28.2 p -159.82 162.17 34.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.445 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.636 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.11 97.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 1.03 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.0 Cg_endo -75.05 -4.31 15.21 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.26 139.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.06 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.875 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.76 -114.26 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.875 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.97 -52.32 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.197 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.736 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.96 -106.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.504 1.791 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.883 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.09 -52.86 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 111.054 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.734 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.6 mt-10 -37.12 73.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.883 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -87.25 90.23 8.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.363 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.03 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.93 158.06 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -127.58 -144.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.636 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.4 m -153.68 171.97 18.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 108.235 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.16 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.82 114.8 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 15.5 p -110.24 -34.08 6.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.05 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.785 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.67 165.25 0.07 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.511 1.132 . . . . 0.0 110.481 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.7 103.53 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.474 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.0 mttm 65.29 51.36 1.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 1.16 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.88 27.31 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 108.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.994 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.15 9.98 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.994 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.93 69.3 5.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.173 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -38.74 158.28 0.1 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 109.524 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.622 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.04 104.57 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.439 1.757 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 1.173 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -159.36 -39.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.567 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 36.5 mt-30 -62.22 61.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.066 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -96.26 -55.31 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.592 1.183 . . . . 0.0 110.33 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 72' ' ' ARG . 18.6 Cg_endo -74.95 -28.91 8.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 110.96 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.453 ' C ' ' CG ' ' B' ' 9' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.6 1.188 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 1' ' ' HIS . . . . . 0.704 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 3.7 t-160 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.689 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -176.49 167.01 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.944 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.17 48.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.806 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -58.06 -166.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.423 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.82 38.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 6' ' ' SER . . . . . 0.458 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 16.7 t -154.21 10.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.832 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 1.6 t 175.57 161.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.068 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 1.083 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -125.02 -24.59 4.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.593 1.183 . . . . 0.0 109.262 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' B' ' 11' ' ' TRP . 2.1 mm-40 -81.61 142.76 49.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.238 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.499 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -75.05 32.94 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.578 1.831 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' TRP . . . . . 0.664 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -132.4 -36.02 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.78 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 15.3 m-30 -97.46 -32.29 0.26 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.78 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.96 -42.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.704 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.629 HD11 ' HA ' ' A' ' 22' ' ' LEU . 31.6 pt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.616 HG13 ' N ' ' A' ' 15' ' ' THR . 3.3 t -126.24 156.24 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.14 149.66 35.38 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.848 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 8.9 m80 -84.2 147.23 27.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -113.18 114.77 27.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.401 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.958 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.22 -17.46 15.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.69 -49.49 8.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.218 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.54 -103.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.189 . . . . 0.0 110.378 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.857 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.96 -161.4 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.857 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.98 -54.7 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.095 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.04 103.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.445 ' O ' HG13 ' A' ' 14' ' ' VAL . 56.3 p -154.57 138.64 16.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.92 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.848 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.21 100.03 4.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.394 1.059 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.555 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.38 127.43 69.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.616 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.0 m -46.96 142.58 3.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.456 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.776 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.63 178.53 1.28 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 108.328 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.742 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.95 -174.45 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.446 1.761 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.742 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.06 115.92 4.42 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.99 -56.3 0.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.127 . . . . 0.0 110.94 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.661 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 35.4 mp0 -66.22 105.2 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.302 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.426 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.4 m-20 -85.59 6.27 28.01 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.582 1.176 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.766 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -173.9 -171.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -103.29 -170.65 1.82 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 108.337 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.534 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.1 p90 -168.12 167.12 12.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.946 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.04 99.43 4.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.77 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.83 156.61 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.389 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.17 151.27 32.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.969 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.84 -101.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 107.979 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.653 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.51 120.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 108.293 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.541 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.5 t0 -49.05 177.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.03 -1.51 14.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 109.37 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.2 m-85 -117.65 -13.57 10.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.654 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 2.0 t 36.17 61.11 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.414 1.071 . . . . 0.0 108.206 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -67.63 175.92 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.925 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.405 ' C ' ' H ' ' A' ' 37' ' ' GLY . 15.1 m -67.53 -7.15 23.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.048 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.784 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.9 mmm180 -70.92 3.06 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 85.72 -127.32 8.21 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.969 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -96.69 -169.01 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 109.277 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.8 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.44 -163.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.125 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.05 77.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.681 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -92.28 69.09 5.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.952 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.71 -177.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.06 -147.06 14.4 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.435 1.084 . . . . 0.0 111.07 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.776 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.0 m -112.32 155.6 23.84 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.12 145.45 4.18 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.393 1.058 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.605 ' O ' HG23 ' A' ' 47' ' ' THR . . . -53.14 -47.05 69.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 46' ' ' ALA . 27.3 p -160.57 162.01 32.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.1 97.69 0.12 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 108.309 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 1.029 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.08 -4.56 15.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.561 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.04 139.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.047 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.835 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.05 -114.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.835 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -155.91 -52.66 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.739 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -74.87 -106.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.472 1.775 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.895 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.94 -53.29 5.95 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.551 1.157 . . . . 0.0 111.093 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.746 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.1 mt-10 -36.2 72.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 110.275 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.895 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -86.72 90.83 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.029 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.57 157.86 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -127.44 -146.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.419 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.0 m -152.8 171.53 18.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 108.273 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.177 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.99 115.29 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.092 . . . . 0.0 108.345 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.459 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 24.4 p -110.22 -34.6 6.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.782 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.05 165.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.436 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.11 103.58 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.485 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 32.9 mttt 65.53 51.02 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.4 1.063 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 1.177 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.61 27.31 5.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.994 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.1 9.91 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.994 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.98 69.09 5.62 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.399 1.736 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.16 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.7 p80 -38.49 158.16 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.586 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.633 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -75.04 104.24 1.87 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.587 1.835 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 1.16 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -160.2 -38.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.375 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.585 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 36.3 mt-30 -62.5 61.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.404 1.065 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 70' ' ' LYS . 2.1 ttt180 -96.33 -55.64 0.21 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.204 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.505 ' HD3' ' CB ' ' A' ' 72' ' ' ARG . 18.3 Cg_endo -74.89 150.72 39.17 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.779 . . . . 0.0 111.087 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' HIS . . . . . 0.539 ' N ' ' C ' ' B' ' 14' ' ' ASP . 27.8 m80 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.686 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER 178.23 165.72 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.958 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -115.55 49.56 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.784 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.1 m-85 -58.4 -164.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.5 OUTLIER -107.53 38.8 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.261 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 6' ' ' SER . . . . . 0.438 ' HB3' ' NE ' ' A' ' 36' ' ' ARG . 17.7 t -153.4 4.3 0.31 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.775 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 1.4 t -177.45 162.61 1.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.956 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 1.095 HD21 ' CD1' ' A' ' 11' ' ' ILE . 2.0 tm? -126.87 -23.13 3.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.483 ' C ' ' H ' ' B' ' 11' ' ' TRP . 4.1 mm-40 -83.12 142.91 44.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.412 1.07 . . . . 0.0 110.252 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.512 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -75.05 37.5 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' TRP . . . . . 0.696 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -136.72 -36.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.792 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.3 m-85 -97.8 -30.57 0.25 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.792 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.6 Cg_endo -74.84 -43.36 0.43 Allowed 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.481 1.78 . . . . 0.0 111.06 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.539 ' C ' ' N ' ' B' ' 1' ' ' HIS . 1.3 t0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 22' ' ' LEU . 22.2 pt . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.597 HG13 ' N ' ' A' ' 15' ' ' THR . 2.7 t -123.03 157.03 28.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.87 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.66 149.99 35.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.25 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.854 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.2 m80 -85.11 146.47 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.521 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -111.76 114.66 27.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.961 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.36 -16.57 15.59 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.457 1.098 . . . . 0.0 110.428 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.586 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -85.54 -49.23 8.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.396 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.93 -104.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.444 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.861 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.2 -161.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.861 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.94 -54.73 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.437 1.756 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.121 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.9 102.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.434 ' O ' HG13 ' A' ' 14' ' ' VAL . 51.9 p -153.74 138.71 17.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.854 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.39 97.66 4.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.499 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -124.76 129.13 73.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.597 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.8 m -48.13 143.17 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.746 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.0 178.3 1.31 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.317 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.722 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.04 -175.17 2.23 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.569 1.826 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.722 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.01 115.43 4.28 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.544 1.813 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.89 -55.53 0.44 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.619 1.199 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.654 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 47.7 mp0 -67.4 104.91 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.416 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.1 m-20 -85.09 5.79 28.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.766 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.09 -170.77 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.87 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.98 -170.83 1.83 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.123 . . . . 0.0 108.333 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.522 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 17.9 p90 -167.62 167.68 13.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.915 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.93 99.2 3.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.778 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.41 156.14 24.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.376 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.92 149.78 30.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.067 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.967 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.43 -101.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.625 1.203 . . . . 0.0 108.012 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.683 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.61 117.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 108.325 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.507 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 47.6 t0 -47.92 176.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.507 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -70.79 -1.19 10.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.4 m-85 -119.16 -11.49 9.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.62 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 3.6 t 36.93 59.87 1.02 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.6 m -58.21 175.3 0.23 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -73.06 -2.83 22.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.765 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.2 mmp_? -77.79 5.44 9.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.43 -124.73 7.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.098 . . . . 0.0 111.039 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.967 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.3 OUTLIER -97.1 -168.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.596 0.821 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.793 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.98 -162.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.185 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.116 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.59 75.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.659 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.7 mt-10 -90.14 68.54 7.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.953 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.65 -178.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.21 -147.22 14.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.42 1.075 . . . . 0.0 111.088 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.746 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.8 m -111.87 155.2 24.02 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.8 144.96 4.3 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.525 1.141 . . . . 0.0 109.212 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.92 -47.22 68.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 46' ' ' ALA . 22.6 p -160.41 161.49 33.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.628 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.74 97.81 0.12 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 108.311 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 1.02 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.0 Cg_endo -75.02 -3.92 14.64 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.646 1.866 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.36 139.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.858 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.27 -114.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.387 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.858 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 2.3 mptt -156.75 -52.37 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.734 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.04 -106.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.875 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.54 -53.24 5.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.735 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.8 mt-10 -36.31 73.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.875 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -87.28 91.04 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.02 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.67 158.23 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.511 HG22 ' H ' ' A' ' 59' ' ' CYS . 2.8 m -127.55 -146.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.628 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.8 m -152.12 171.45 17.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 108.212 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.07 114.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.351 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.491 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 22.9 p -109.95 -34.29 6.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.955 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.78 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.68 165.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.435 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.9 103.53 2.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 18.9 mttm 65.23 51.84 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -100.34 27.16 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 108.312 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 1.023 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.59 9.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.023 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -75.01 69.28 5.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.405 1.74 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.119 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.6 p80 -37.92 158.13 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.609 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.659 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.04 104.32 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 1.119 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.53 -38.19 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.576 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 34.5 mt-30 -61.16 59.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.658 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -92.21 -50.44 0.3 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 110.234 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.691 ' CB ' ' CE2' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.9 -162.43 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.546 1.814 . . . . 0.0 111.01 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.04 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' HIS . . . . . 0.582 ' H2 ' ' HB3' ' B' ' 14' ' ' ASP . 15.3 m80 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.704 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -163.4 168.17 20.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.221 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.961 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.92 48.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 110.99 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.765 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.0 m-85 -59.42 -165.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.36 40.84 1.53 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 6' ' ' SER . . . . . 0.41 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 7.7 t -148.8 -7.72 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.069 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.595 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 19.1 t -170.9 167.42 7.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 110.051 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 1.121 HD21 ' CD1' ' A' ' 11' ' ' ILE . 2.0 tm? -127.13 -22.33 3.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.231 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' B' ' 11' ' ' TRP . 4.0 mm-40 -80.53 144.97 57.9 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.512 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.08 22.62 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.798 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' TRP . . . . . 0.615 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 5.0 t-105 -124.49 -38.21 2.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.733 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 28.9 m-85 -90.37 -35.78 0.39 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 111.066 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.733 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.1 Cg_endo -75.04 -39.64 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.571 1.827 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.582 ' HB3' ' H2 ' ' B' ' 1' ' ' HIS . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' A' ' 22' ' ' LEU . 25.4 pt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.598 HG13 ' N ' ' A' ' 15' ' ' THR . 2.7 t -123.24 156.09 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.892 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.0 149.98 36.08 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.55 1.156 . . . . 0.0 108.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.843 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.1 m80 -84.6 145.6 27.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.609 1.193 . . . . 0.0 109.621 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -112.19 114.8 27.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.605 1.191 . . . . 0.0 110.361 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.865 HG23 ' CG1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -101.57 -22.68 14.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.367 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -79.42 -51.0 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -105.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.858 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -62.48 -161.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.053 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.858 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.1 Cg_endo -74.99 -55.25 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.404 1.739 . . . . 0.0 111.035 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.951 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.1 OUTLIER 165.94 100.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.377 1.048 . . . . 0.0 109.365 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.434 ' O ' HG13 ' A' ' 14' ' ' VAL . 53.7 p -152.01 139.84 19.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.843 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.33 97.69 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.5 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -124.91 128.77 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.386 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.598 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.1 m -47.53 143.24 3.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 110.363 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.758 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.21 178.32 1.29 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.713 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.6 Cg_endo -74.97 -175.34 2.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.713 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.05 116.38 4.56 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.494 1.786 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.76 -55.43 0.46 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.655 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 43.0 mp0 -67.06 105.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 110.264 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.416 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.2 m-20 -85.92 6.38 28.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.37 1.044 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.95 -171.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.191 . . . . 0.0 109.295 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.892 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.43 -171.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.354 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.541 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.6 p90 -167.37 167.43 13.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.967 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.902 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -136.33 99.06 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.777 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.4 155.76 24.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.6 mtt -149.72 149.37 30.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 111.07 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.964 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.38 -101.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.17 119.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.399 1.062 . . . . 0.0 108.301 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.523 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 40.2 t0 -47.71 177.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.84 -0.38 13.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.2 m-85 -120.82 -10.39 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.587 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 4.6 t 37.5 61.34 1.0 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.474 1.109 . . . . 0.0 108.252 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.1 m -59.85 174.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 109.924 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.2 m -72.67 -3.27 23.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.051 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.77 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 2.0 mmp_? -77.22 4.75 9.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.84 -124.15 7.0 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.601 1.188 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.964 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -97.25 -168.92 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.802 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -104.48 -161.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.61 1.194 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.16 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.98 76.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.677 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.5 mt-10 -91.11 68.66 6.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.963 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.54 -176.93 0.51 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.36 -146.92 14.4 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.512 1.133 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.758 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.8 m -112.41 156.13 23.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.436 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.65 144.6 3.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.594 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.27 -47.4 65.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.234 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 46' ' ' ALA . 28.3 p -160.3 162.04 33.46 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.412 1.07 . . . . 0.0 110.435 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.14 97.63 0.12 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 108.328 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 1.038 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.06 -4.66 15.72 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.21 139.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.409 1.068 . . . . 0.0 109.991 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.855 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.76 -114.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.855 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.15 -52.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.741 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.96 -107.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.882 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -82.39 -52.54 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.731 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.5 mt-10 -37.62 73.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.882 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -87.56 89.55 8.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.246 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.038 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.04 157.74 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.423 1.077 . . . . 0.0 109.392 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -127.34 -146.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 13.4 m -152.5 172.01 17.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 108.277 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.91 115.37 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 108.252 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.499 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 19.6 p -110.47 -34.74 6.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 110.038 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.23 164.9 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.33 104.02 2.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.08 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.487 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 35.4 mttt 64.86 50.96 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.253 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.33 27.39 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 108.291 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.991 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.37 10.77 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.991 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -75.06 69.83 5.5 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.406 1.74 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.16 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.3 p80 -37.36 156.15 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.574 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.7 ' C ' ' HD3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.0 103.27 1.7 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 1.086 ' CD ' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -163.76 -38.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.18 . . . . 0.0 109.355 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.582 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 31.0 mt-30 -56.41 78.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.192 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.575 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -159.27 130.06 3.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 97.21 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' HIS . . . . . 0.876 ' H3 ' ' CB ' ' B' ' 14' ' ' ASP . 13.1 t-80 . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.697 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -164.63 175.43 9.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.847 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -117.73 40.36 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.77 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -56.9 175.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -90.6 41.63 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 6' ' ' SER . . . . . 0.459 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 23.2 t -145.27 -15.74 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.97 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.628 ' OG ' ' HB2' ' B' ' 12' ' ' TYR . 11.5 t -164.98 171.65 13.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.091 . . . . 0.0 110.085 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.951 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.5 tm? -130.75 -19.85 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.483 ' C ' ' H ' ' B' ' 11' ' ' TRP . 3.5 mm-40 -84.9 144.39 41.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.519 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.5 Cg_endo -74.95 37.57 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.399 1.736 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' TRP . . . . . 0.688 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 10.0 t-105 -134.95 -40.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 107.958 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.778 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 10.9 m-30 -94.69 -32.01 0.28 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.778 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -75.0 -39.64 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.876 ' CB ' ' H3 ' ' B' ' 1' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.651 HD11 ' HA ' ' A' ' 22' ' ' LEU . 34.2 pt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.647 HG13 ' N ' ' A' ' 15' ' ' THR . 3.5 t -128.24 156.67 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.997 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.87 150.65 36.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 108.324 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.842 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 8.9 m80 -85.08 146.17 27.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.583 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -112.2 114.34 27.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 110.322 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.966 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -102.8 -17.83 15.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.447 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.22 -49.38 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.61 -103.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 110.357 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.72 -161.49 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.99 -54.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.419 1.747 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.098 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.17 103.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.416 ' O ' HG13 ' A' ' 14' ' ' VAL . 48.7 p -154.33 139.22 17.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.471 1.107 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.842 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.83 101.44 5.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.586 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -129.28 126.68 64.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.647 ' N ' HG13 ' A' ' 2' ' ' VAL . 9.1 m -48.01 142.19 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.786 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.07 178.69 1.29 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 108.255 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.772 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.4 Cg_endo -74.95 -173.2 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.772 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 17.9 Cg_endo -75.07 115.15 4.19 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.445 1.761 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.5 -55.72 0.44 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.518 1.136 . . . . 0.0 111.114 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.645 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 40.4 mp0 -67.39 104.47 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 110.356 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.424 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.1 m-20 -84.74 5.95 26.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.43 -170.48 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.997 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.92 -170.35 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 108.312 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.528 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.9 p90 -168.42 168.08 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.952 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.941 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -137.0 99.17 3.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.773 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.6 155.5 24.41 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.419 1.075 . . . . 0.0 109.432 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -148.94 152.13 35.83 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.598 1.186 . . . . 0.0 111.087 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.957 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.02 -101.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 107.973 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.659 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.75 120.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.557 ' OD1' ' NE ' ' B' ' 2' ' ' ARG . 41.3 t0 -48.63 177.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.23 -1.12 13.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.4 m-85 -118.11 -13.96 9.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.645 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 2.1 t 37.16 61.49 0.92 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 108.336 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.7 m -68.24 176.42 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.8 m -68.82 -6.45 26.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.951 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.762 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 7.1 mmm180 -71.55 2.93 4.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.73 -128.23 8.8 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.957 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -96.43 -168.49 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.734 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.795 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.77 -163.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.14 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.48 77.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.68 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.1 mt-10 -91.55 68.76 5.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.947 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.68 -178.68 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.02 -146.31 12.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.412 1.07 . . . . 0.0 111.081 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.786 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 4.7 m -112.54 155.84 23.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.46 144.44 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.0 -47.58 64.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.6 p -160.35 162.42 33.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.338 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.642 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.28 97.5 0.12 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 108.345 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 1.036 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -75.01 -4.58 15.61 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.54 1.811 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -24.95 139.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.581 1.176 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.858 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.64 -114.54 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.858 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.5 -52.43 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.738 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.1 Cg_endo -75.08 -106.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.416 1.745 . . . . 0.0 110.98 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.888 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.7 p90 -82.82 -53.05 6.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.739 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.6 mt-10 -36.52 73.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.888 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -87.04 90.42 8.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.036 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.6 t -98.21 157.6 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.528 HG22 ' H ' ' A' ' 59' ' ' CYS . 2.9 m -127.54 -148.15 0.37 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.405 1.066 . . . . 0.0 110.381 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.642 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.9 m -150.59 171.35 17.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 108.285 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.69 114.89 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 108.353 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.421 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 14.0 p -110.05 -35.48 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.887 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.781 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.28 166.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.414 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.52 103.52 2.99 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.596 1.185 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.478 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 20.6 mttm 65.41 51.18 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.95 27.91 5.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.15 . . . . 0.0 108.211 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.996 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.53 10.06 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.996 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -75.13 69.72 5.57 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.523 1.801 . . . . 0.0 111.041 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.14 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.7 p80 -37.96 157.55 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.516 1.135 . . . . 0.0 109.568 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.666 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -74.95 104.79 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 1.12 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.76 -43.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.536 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 35.4 mt-30 -55.5 84.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.479 1.112 . . . . 0.0 110.356 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.702 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . 2.0 ttp180 -146.2 -61.33 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.393 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -74.98 83.82 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 73' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 1' ' ' HIS . . . . . 0.625 ' H2 ' ' C ' ' B' ' 14' ' ' ASP . 8.6 t60 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.696 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -168.38 166.94 12.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.966 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.48 49.16 1.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.94 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.762 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.5 m-85 -57.13 -165.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 1.0 OUTLIER -106.8 38.1 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 6' ' ' SER . . . . . 0.504 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 33.9 t -146.41 -7.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.979 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.628 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 13.5 t -169.61 170.03 8.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 1.098 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -129.66 -20.23 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.395 1.059 . . . . 0.0 109.213 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.503 ' C ' ' H ' ' B' ' 11' ' ' TRP . 1.2 mm-40 -84.7 142.77 39.9 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.543 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -75.06 32.4 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.448 1.762 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' TRP . . . . . 0.627 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -129.96 -37.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 107.99 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 68.4 m-85 -96.14 -34.25 0.27 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 111.09 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -74.98 -42.59 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.625 ' C ' ' H2 ' ' B' ' 1' ' ' HIS . 4.5 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.634 HD11 ' HA ' ' A' ' 22' ' ' LEU . 28.5 pt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.642 HG13 ' N ' ' A' ' 15' ' ' THR . 3.2 t -126.87 154.63 37.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 109.364 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -143.78 149.85 37.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 108.266 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.857 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.1 m80 -85.04 146.57 27.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.577 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -112.4 115.08 28.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.426 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.966 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.48 -17.69 15.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.408 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.598 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.5 -50.21 7.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.58 -103.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.859 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -64.08 -161.24 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.911 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.859 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.99 -55.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.424 1.749 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.105 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.55 102.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.235 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.414 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.4 p -153.35 138.62 17.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.857 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.93 101.05 5.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.571 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -129.38 126.43 63.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.168 . . . . 0.0 109.199 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.642 ' N ' HG13 ' A' ' 2' ' ' VAL . 6.6 m -46.67 142.71 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.358 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.77 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.18 178.63 1.27 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 108.255 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.757 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -75.01 -173.8 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.563 1.823 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.757 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.98 116.13 4.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.18 -57.1 0.43 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.389 1.055 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.642 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 38.9 mp0 -66.77 105.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.419 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.8 m-20 -84.84 6.34 25.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.74 -171.01 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.47 -170.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.605 1.191 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.536 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.0 p90 -168.02 167.4 12.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.951 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.46 99.25 4.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.584 1.178 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.781 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.7 156.33 23.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.78 152.03 34.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.973 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.05 -101.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.109 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.644 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.16 120.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.311 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.552 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.8 t0 -49.53 178.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 109.198 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.56 -0.62 13.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.473 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.1 m-85 -119.61 -11.5 9.42 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.623 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 3.7 t 35.98 59.64 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 108.264 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -63.57 175.36 1.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 m -69.53 -5.05 21.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 109.931 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.807 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.1 mmm180 -73.45 3.09 6.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.91 -126.66 8.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.973 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -96.24 -169.29 1.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.767 . . . . 0.0 109.358 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.799 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.38 -163.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.131 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.06 76.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.209 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.682 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -91.79 69.87 5.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.603 1.189 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.951 HD23 ' HG2' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -67.65 -177.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.64 -146.86 13.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.77 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 6.1 m -112.39 154.25 26.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.74 145.11 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 47' ' ' THR . . . -53.01 -47.17 68.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 46' ' ' ALA . 24.1 p -160.23 162.37 33.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.96 97.63 0.13 Allowed Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.528 1.142 . . . . 0.0 108.243 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 1.042 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.96 -4.56 15.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.556 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -25.12 139.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.063 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.853 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.91 -114.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.853 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.52 -52.38 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.735 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.07 -106.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.896 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.23 -53.13 6.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.721 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.1 mt-10 -37.08 72.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.142 . . . . 0.0 110.344 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.896 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -87.11 89.93 8.17 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.574 1.171 . . . . 0.0 110.221 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.042 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.51 158.27 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.65 -146.03 0.32 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 10.9 m -152.8 171.91 17.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 108.336 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.15 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.89 116.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 108.28 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.414 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 18.5 p -111.23 -34.92 6.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.049 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.786 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.78 166.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.69 103.24 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.478 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 17.0 mttm 65.83 51.15 1.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 1.15 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -99.9 26.97 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.244 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 1.022 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.72 9.15 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.022 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -75.01 69.51 5.54 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.546 1.814 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.131 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.8 p80 -37.89 158.13 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.605 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.663 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -75.03 104.63 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.426 1.751 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 1.129 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.19 -40.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.556 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 34.8 mt-30 -60.99 66.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.656 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -115.71 -60.8 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.272 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.2 Cg_endo -74.98 107.79 2.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.579 ' C ' ' CE2' ' B' ' 12' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 1' ' ' HIS . . . . . 0.73 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 6.4 t-80 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.686 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -166.93 167.43 14.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.966 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.19 49.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.807 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -58.02 -165.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.2 OUTLIER -107.1 39.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 6' ' ' SER . . . . . 0.499 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 12.2 t -149.33 -4.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.617 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 10.7 t -171.37 166.53 6.99 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.427 1.08 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 1.105 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -127.6 -20.79 3.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.0 mm-40 -83.28 143.4 44.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.478 ' CB ' ' HA ' ' B' ' 1' ' ' HIS . 18.0 Cg_endo -75.11 26.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.571 1.827 . . . . 0.0 110.987 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' TRP . . . . . 0.611 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -126.96 -35.2 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 108.002 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.747 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 48.6 m-85 -95.93 -34.93 0.27 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.747 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.6 Cg_endo -74.93 -38.02 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.808 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.73 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 2.4 t0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.569 HD11 ' HA ' ' A' ' 22' ' ' LEU . 27.4 pt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' ' 15' ' ' THR . 2.7 t -123.87 154.5 30.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -143.54 149.71 37.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 108.284 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.851 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 8.6 m80 -84.96 145.0 27.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.604 1.19 . . . . 0.0 109.568 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -110.84 115.35 29.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.969 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.52 -17.65 15.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.601 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.57 -49.98 8.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 109.368 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.02 -103.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.852 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.45 -161.56 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.962 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.852 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.0 Cg_endo -75.08 -54.68 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.466 1.772 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.114 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.87 103.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.454 ' O ' HG13 ' A' ' 14' ' ' VAL . 53.6 p -155.03 138.46 15.88 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.851 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -75.72 97.59 3.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.51 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -124.15 129.2 74.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 109.198 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.585 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.4 m -48.38 143.14 5.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.751 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.33 177.85 1.42 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.074 . . . . 0.0 108.25 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.728 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -74.98 -174.8 2.06 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.475 1.776 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.728 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -74.99 116.69 4.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.57 -56.35 0.45 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.67 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 11.0 mp0 -66.14 104.86 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.43 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.5 m-20 -85.11 5.68 28.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.632 1.207 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.38 -170.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.373 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -103.94 -171.13 1.88 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.538 1.149 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.546 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.4 p90 -167.3 167.79 13.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.568 1.168 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.942 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.74 99.09 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 110.312 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.783 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.26 156.24 24.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.482 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -149.87 151.51 33.58 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.967 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -168.39 -100.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 108.013 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.26 118.8 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 108.317 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.547 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.2 t0 -48.47 177.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.02 -0.68 12.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.485 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.9 m-85 -120.61 -9.71 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.611 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 3.1 t 35.08 61.42 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 108.398 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.5 m -61.18 175.74 0.51 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 m -72.46 -2.53 19.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.993 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.794 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 1.4 mmp_? -77.43 5.52 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 110.206 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.15 -124.56 7.08 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.488 1.118 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.967 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -97.91 -169.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.368 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.806 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -103.49 -163.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.12 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.06 76.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.678 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -91.22 69.21 6.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.223 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.96 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.87 -178.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 3' ' ' CYS . . . 159.1 -146.61 13.25 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 5.8 m -112.38 155.42 24.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.462 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.14 145.27 4.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.607 ' O ' HG23 ' A' ' 47' ' ' THR . . . -53.7 -46.6 70.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 46' ' ' ALA . 25.5 p -160.39 162.03 33.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.52 97.76 0.13 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 1.032 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -75.02 -4.38 15.31 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.558 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.26 139.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.59 1.181 . . . . 0.0 109.994 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.859 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.84 -114.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.415 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.859 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 1.7 mptt -156.75 -52.52 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.085 . . . . 0.0 109.356 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.732 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.97 -106.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.884 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.65 -52.68 6.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.581 1.175 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.733 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.7 mt-10 -37.41 73.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.884 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -87.49 90.36 8.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.032 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.6 t -97.83 157.94 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.5 m -127.12 -145.55 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.6 m -153.27 171.87 17.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.85 114.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 108.304 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.477 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 21.2 p -109.66 -33.56 6.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.779 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -50.32 166.41 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.57 104.15 3.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.471 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 36.4 mttt 64.48 51.59 1.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -100.09 27.0 5.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 1.02 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.85 9.05 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.236 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.02 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.7 Cg_endo -74.97 68.86 5.66 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.131 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.6 p80 -37.6 158.04 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 109.563 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.634 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.01 104.17 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.081 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 1.131 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.87 -38.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.568 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 34.9 mt-30 -61.76 61.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.636 ' N ' ' O ' ' A' ' 70' ' ' LYS . 7.7 ttt180 -102.49 -57.25 0.1 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.603 ' HB2' ' CD2' ' B' ' 12' ' ' TYR . 18.5 Cg_endo -74.99 53.08 3.22 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.48 1.779 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.96 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' HIS . . . . . 0.536 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 39.4 t60 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.71 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -175.74 166.64 3.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.969 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.47 49.08 1.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.794 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.0 m-85 -58.87 -164.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -107.74 41.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.9 -1.63 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.014 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.669 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 5.2 t -173.9 164.44 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 1.114 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -127.01 -21.49 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.497 ' C ' ' H ' ' B' ' 11' ' ' TRP . 2.9 mm-40 -83.11 143.41 45.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.393 1.058 . . . . 0.0 110.349 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.528 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -75.01 34.35 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' TRP . . . . . 0.68 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -134.02 -37.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.774 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 71.5 m-85 -95.29 -32.12 0.27 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.774 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.6 Cg_endo -74.98 -41.15 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.536 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.625 HD11 ' HA ' ' A' ' 22' ' ' LEU . 27.9 pt . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.608 HG13 ' N ' ' A' ' 15' ' ' THR . 3.4 t -124.12 157.47 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.914 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.9 m -145.81 149.97 35.33 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 0.0 108.316 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.849 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 8.9 m80 -84.82 146.93 27.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 0.0 109.635 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -113.77 115.15 27.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.419 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.943 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.69 -23.11 14.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.07 . . . . 0.0 110.455 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -79.01 -51.18 9.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.1 -104.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.458 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -63.91 -161.24 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 110.076 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -75.05 -54.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.954 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.58 101.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.353 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.425 ' O ' HG13 ' A' ' 14' ' ' VAL . 62.5 p -152.69 140.23 19.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.849 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.8 99.61 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.554 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.1 127.73 71.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.608 ' N ' HG13 ' A' ' 2' ' ' VAL . 8.3 m -48.47 142.29 5.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.396 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.761 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -99.0 178.55 1.26 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 108.285 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.738 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.91 -174.47 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.523 1.801 . . . . 0.0 111.067 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.738 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.04 115.53 4.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.954 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.08 -56.93 0.43 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.629 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.8 mp0 -66.4 104.61 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.605 0.826 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.5 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.8 m-20 -85.13 9.21 15.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.023 HD11 ' SG ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -175.99 -168.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.914 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -106.86 -171.05 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 108.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.534 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.4 p90 -166.14 167.68 16.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.881 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -137.12 99.46 4.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.372 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.765 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -83.12 155.53 23.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.6 mtt -149.83 148.61 29.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.965 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -165.51 -101.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.56 121.53 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 108.342 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.556 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 42.9 t0 -48.76 178.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.372 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.73 -0.44 13.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.242 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.8 m-85 -117.94 -16.13 9.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.644 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 2.0 t 37.3 61.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.317 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.0 m -73.41 176.96 5.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 37' ' ' GLY . 8.6 m -63.88 -10.04 18.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.788 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 8.0 mmm180 -67.31 -0.1 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 85.36 -129.3 9.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.965 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -95.16 -168.48 1.81 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.791 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -106.28 -161.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.166 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -154.21 77.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.689 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.4 mt-10 -92.51 68.36 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.984 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -65.95 -175.97 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.383 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.485 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.09 -148.55 18.42 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.761 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 8.0 m -109.93 154.95 22.38 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.69 143.29 2.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.592 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -51.26 -46.54 62.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.592 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 43.2 p -159.85 161.41 34.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.857 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.9 OUTLIER -37.89 99.36 0.18 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.291 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 1.031 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.02 0.68 8.62 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.578 1.831 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -27.02 140.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.951 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.863 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -95.5 -113.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.409 1.068 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.863 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -156.54 -52.75 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.37 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.722 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -75.01 -106.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.527 1.804 . . . . 0.0 111.069 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.902 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.17 -52.52 6.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.693 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.0 mt-10 -38.07 72.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.902 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -87.11 88.6 7.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.031 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.13 158.49 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.464 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 1.1 m -131.89 -155.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 1.023 ' SG ' HD11 ' A' ' 22' ' ' LEU . 1.2 m -140.47 176.64 8.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 108.246 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.197 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 177.06 112.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.278 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.487 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 9.3 p -108.11 -35.89 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.079 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.752 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.03 160.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.5 104.11 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.489 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 32.5 mttt 64.22 51.91 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.36 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 1.197 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.7 p -99.23 27.01 5.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 108.293 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.996 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.17 10.86 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.216 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.996 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -74.9 69.08 5.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.416 1.745 . . . . 0.0 111.036 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.166 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.4 p80 -37.75 157.16 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.644 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.633 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -74.96 103.25 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.434 1.755 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 1.133 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.68 -39.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.579 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 31.2 mt-30 -57.67 75.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.589 ' N ' ' O ' ' A' ' 70' ' ' LYS . 18.8 ttt85 -162.2 140.17 6.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.5 Cg_endo -74.98 105.87 2.17 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.608 1.846 . . . . 0.0 111.038 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' HIS . . . . . 0.682 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.653 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -158.56 171.6 19.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.943 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -117.77 40.81 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 111.12 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.788 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.4 m-85 -52.45 -175.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 7.7 pt-20 -99.49 34.78 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' SER . . . . . 0.503 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 19.3 t -144.43 2.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.922 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.726 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 22.3 t -179.0 166.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.954 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.1 tm? -126.6 -27.34 3.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 11' ' ' TRP . 0.7 OUTLIER -77.74 144.53 69.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 110.286 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.572 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -74.99 29.04 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.422 1.749 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' TRP . . . . . 0.628 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 2.5 t90 -128.5 -37.85 1.77 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.75 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 4.0 m-30 -94.53 -34.64 0.29 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.75 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.7 Cg_endo -74.88 -41.81 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.682 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' A' ' 22' ' ' LEU . 26.9 pt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.656 HG13 ' N ' ' A' ' 15' ' ' THR . 2.8 t -122.27 152.13 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.06 149.21 36.26 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.57 1.169 . . . . 0.0 108.395 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.886 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 8.6 m80 -85.08 145.66 27.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.593 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -111.85 114.96 28.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.962 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.42 -17.67 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.414 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.611 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.54 -49.28 8.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.9 -104.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 110.446 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.849 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.16 -161.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.849 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -75.0 -54.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.13 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.77 102.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.2 p -152.75 138.91 18.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.886 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -78.28 103.37 8.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.218 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.612 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -130.95 127.3 61.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.656 ' N ' HG13 ' A' ' 2' ' ' VAL . 9.7 m -49.01 141.91 7.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.714 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.15 177.87 1.54 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 108.334 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.755 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.95 -173.43 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.755 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.5 Cg_endo -75.0 112.63 3.61 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 156.49 -57.37 0.38 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.664 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 3.6 mp0 -67.0 103.87 1.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.41 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.2 m-20 -83.47 7.43 16.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -175.81 -171.39 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.416 1.073 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -103.77 -169.52 1.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.281 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.544 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 17.4 p90 -168.17 167.15 12.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.06 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.935 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.41 99.07 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.774 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.37 156.53 24.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.03 151.67 33.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.977 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -168.24 -101.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 107.984 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.679 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -177.0 118.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 108.25 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 46.7 t0 -48.81 176.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.612 1.195 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.512 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -71.3 -1.16 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.7 m-85 -119.13 -10.38 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.624 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 3.2 t 34.83 60.36 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 108.366 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.6 m -59.57 175.69 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.6 m -72.52 -2.01 18.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.091 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.775 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.8 mmp_? -78.09 5.12 10.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.13 -124.34 6.98 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.557 1.16 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.977 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 1.7 mmtt -97.69 -168.67 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.79 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.8 t -104.24 -164.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.124 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -152.4 76.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.679 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -90.85 68.56 6.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.948 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.62 -178.44 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 109.397 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.52 -146.49 12.93 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.723 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 5.6 m -112.0 155.65 23.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.493 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.8 144.83 3.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 109.388 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 47' ' ' THR . . . -53.53 -46.87 70.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 46' ' ' ALA . 27.8 p -159.95 162.83 34.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.61 1.194 . . . . 0.0 110.405 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -35.29 97.98 0.14 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 108.275 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 1.041 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.05 -4.01 14.76 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.58 1.832 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.555 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.54 139.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.956 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.851 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.94 -114.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.851 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.26 -52.49 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.739 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.03 -106.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 111.062 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.903 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.5 -53.37 5.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.408 1.068 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.726 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.3 mt-10 -36.51 72.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.903 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -86.71 89.99 8.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.041 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.33 158.55 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -127.62 -144.98 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.6 m -153.66 172.0 17.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.325 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.77 115.07 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 108.255 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.2 p -110.31 -34.44 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.048 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.22 165.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.42 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.52 102.28 2.66 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HG2' ' CB ' ' A' ' 13' ' ' ALA . 37.7 mttt 67.37 51.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -100.38 26.79 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 108.281 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 1.01 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.48 8.58 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 1.01 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.6 Cg_endo -74.86 69.87 5.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.393 1.733 . . . . 0.0 110.965 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.124 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.9 p80 -38.53 158.01 0.1 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.634 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.68 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 17.9 Cg_endo -75.14 105.43 2.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 1.112 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.95 -40.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.568 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 32.1 mt-30 -56.92 77.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.255 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 70' ' ' LYS . 20.5 ttm-85 -166.02 138.71 3.3 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.153 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 107.06 2.4 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.054 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.956 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' HIS . . . . . 0.767 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.718 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -173.89 168.95 4.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.216 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.962 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.93 48.55 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.637 1.211 . . . . 0.0 110.962 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.775 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.2 m-85 -59.66 -165.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 1.092 . . . . 0.0 110.983 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.51 41.37 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -149.16 -9.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.972 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.615 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 12.3 t -167.93 168.98 11.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 1.13 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -129.99 -16.16 3.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.49 ' C ' ' H ' ' B' ' 11' ' ' TRP . 55.4 mm-40 -88.09 144.21 34.13 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.527 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.3 Cg_endo -74.97 36.54 0.44 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' TRP . . . . . 0.679 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.5 t90 -135.14 -38.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.001 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.768 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 7.8 m-30 -94.75 -32.36 0.28 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.768 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.99 -42.49 0.5 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.559 1.821 . . . . 0.0 110.967 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.767 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.626 HD11 ' HA ' ' A' ' 22' ' ' LEU . 30.4 pt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.603 HG13 ' N ' ' A' ' 15' ' ' THR . 3.5 t -124.1 156.68 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.192 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.878 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.07 150.41 36.79 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.45 1.094 . . . . 0.0 108.309 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.843 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.4 m80 -84.89 147.41 26.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.591 1.182 . . . . 0.0 109.56 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -114.46 114.64 26.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.475 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.938 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.03 -23.57 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.403 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.531 ' HB2' ' OE1' ' A' ' 41' ' ' GLU . . . -78.36 -51.37 10.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.48 -105.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.534 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.843 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -61.96 -161.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.843 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -75.11 -54.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.96 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.3 100.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 14' ' ' VAL . 57.0 p -153.44 140.86 19.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.021 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.843 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -77.01 100.89 5.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.558 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.7 127.68 70.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.603 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.9 m -48.18 142.4 5.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.739 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -99.76 178.33 1.3 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 108.329 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.738 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -75.01 -174.39 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.738 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.93 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.62 -57.25 0.43 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.594 1.184 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.634 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.6 mp0 -65.86 104.46 1.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.535 0.785 . . . . 0.0 110.46 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.517 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.2 m-20 -85.28 9.65 14.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.019 HD11 ' SG ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -176.45 -167.39 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.878 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -107.62 -171.33 1.85 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.456 1.097 . . . . 0.0 108.342 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.549 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.2 p90 -165.78 168.52 15.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.874 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -137.87 99.24 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.175 . . . . 0.0 110.317 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.778 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -82.61 155.78 24.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.383 1.052 . . . . 0.0 109.349 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.489 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.7 mtt -149.95 149.5 30.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.961 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -166.28 -100.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 107.981 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.38 121.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 108.298 -179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.552 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 43.7 t0 -48.83 177.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.67 -1.77 17.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.7 m-85 -119.1 -11.42 9.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.614 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 3.1 t 36.7 61.32 0.86 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 108.295 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.4 m -65.26 175.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.041 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.5 m -69.84 -5.39 25.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.811 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 4.7 mmm180 -73.31 3.58 5.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.66 -127.56 8.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.432 1.083 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.961 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -95.82 -167.93 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.796 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -105.21 -161.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.164 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -154.3 77.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.692 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.3 mt-10 -92.4 69.05 5.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.992 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.69 -175.75 0.42 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.05 -147.98 17.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.564 1.165 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.739 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 7.4 m -110.29 155.0 22.67 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -170.94 142.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.598 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -50.74 -46.34 59.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.598 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 41.9 p -160.06 161.02 33.82 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.84 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -37.52 99.26 0.18 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.167 . . . . 0.0 108.272 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 1.03 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -74.96 0.79 8.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -26.7 139.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.083 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.848 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.75 -114.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.848 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.15 -53.13 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.719 ' HD3' ' HB2' ' A' ' 52' ' ' LYS . 18.1 Cg_endo -75.04 -106.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.903 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.4 p90 -82.46 -52.49 6.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.699 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 19.2 mt-10 -38.31 72.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.903 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -87.35 88.8 7.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.03 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.89 159.08 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.499 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 1.4 m -132.06 -155.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.444 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 1.019 ' SG ' HD11 ' A' ' 22' ' ' LEU . 1.2 m -140.96 175.81 9.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 108.358 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.205 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 177.45 111.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.369 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 8.8 p -108.12 -35.22 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.082 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.754 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.97 160.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.433 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.83 104.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 30.3 mttt 63.99 52.22 2.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.217 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 1.205 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.8 p -99.73 27.61 5.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 0.0 108.32 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.995 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -110.08 10.92 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.995 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.1 Cg_endo -74.96 69.41 5.53 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.53 1.805 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.164 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.6 p80 -38.93 157.82 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.638 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.614 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.99 103.73 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 1.16 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -159.87 -39.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.593 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 31.7 mt-30 -58.33 75.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.579 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -157.59 132.57 5.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 110.29 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 95.49 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.445 1.761 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 110.957 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' HIS . . . . . 0.767 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 6.5 m-70 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.665 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -171.3 171.87 5.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.631 1.207 . . . . 0.0 110.344 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.938 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -118.87 42.09 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 111.064 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.811 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.2 m-85 -54.23 -171.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -102.7 38.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 6' ' ' SER . . . . . 0.481 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 29.0 t -154.18 13.6 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.841 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 13.2 t 171.77 159.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.928 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.96 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.2 tm? -123.55 -27.17 4.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.509 ' C ' ' H ' ' B' ' 11' ' ' TRP . 0.4 OUTLIER -75.73 145.63 78.69 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.498 ' CB ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.05 23.7 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.503 1.791 . . . . 0.0 110.986 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' TRP . . . . . 0.635 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -126.12 -36.99 2.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.75 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.7 m-30 -92.47 -34.51 0.34 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 111.05 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.75 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -74.96 -40.63 0.85 Allowed 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 124.526 1.803 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.767 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.634 HD11 ' HA ' ' A' ' 22' ' ' LEU . 29.3 pt . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.625 HG13 ' N ' ' A' ' 15' ' ' THR . 3.1 t -126.97 155.66 37.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.902 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.17 149.27 34.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 108.26 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.849 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 8.5 m80 -84.18 146.22 27.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.632 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -112.31 115.63 29.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.952 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.83 -17.77 14.92 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.126 . . . . 0.0 110.356 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.595 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.47 -49.6 8.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.31 -103.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.855 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.98 -161.52 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.921 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.855 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.5 Cg_endo -74.83 -54.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.59 1.837 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.085 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.08 103.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.2 p -154.37 139.29 17.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.849 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.78 99.96 5.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.374 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.559 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.86 127.28 67.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.625 ' N ' HG13 ' A' ' 2' ' ' VAL . 6.7 m -47.5 142.75 4.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.778 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.4 178.68 1.25 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 108.26 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.752 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.6 Cg_endo -74.89 -174.09 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.424 1.75 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.752 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.05 114.98 4.15 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.455 1.766 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.13 -56.36 0.43 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.572 1.17 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.673 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 40.5 mp0 -66.97 104.6 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 0.73 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.418 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.4 m-20 -84.49 5.38 27.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -172.85 -170.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.226 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.902 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.2 -170.21 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 108.263 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.54 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.0 p90 -168.54 167.21 11.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.947 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.23 99.52 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.771 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.89 156.51 23.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.87 152.28 34.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.973 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.39 -101.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 107.996 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.641 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.71 120.21 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 108.334 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.546 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 43.2 t0 -49.14 178.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.31 -1.13 14.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.1 m-85 -118.11 -13.5 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.659 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 1.9 t 36.26 60.58 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 108.352 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.2 m -67.45 175.89 2.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 37' ' ' GLY . 15.1 m -67.44 -6.68 20.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.787 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 6.1 mmm180 -71.34 3.73 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 85.03 -126.16 7.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.973 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -97.72 -168.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.803 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -104.95 -162.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.132 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.44 76.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.682 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -91.46 69.56 5.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.272 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.96 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -67.18 -177.82 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.43 -147.29 14.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.778 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.4 m -111.96 154.08 25.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -166.4 145.31 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.379 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 47' ' ' THR . . . -53.2 -47.24 69.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 46' ' ' ALA . 27.1 p -160.47 161.47 32.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.83 97.54 0.12 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 108.291 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 1.035 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.6 Cg_endo -74.97 -4.64 15.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.564 1.823 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.02 138.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.989 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.866 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.35 -114.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.866 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -156.75 -52.39 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.734 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.96 -106.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.395 1.734 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.887 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.07 -53.1 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.731 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -37.0 73.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.887 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -87.11 90.41 8.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.248 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.035 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.01 158.34 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.95 -146.32 0.32 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.516 1.135 . . . . 0.0 110.477 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.3 m -152.56 171.84 17.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.323 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.94 115.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 108.33 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.415 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 9.8 p -110.21 -34.28 6.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.982 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.78 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.27 166.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.395 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.15 102.46 3.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.48 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 31.9 mttt 66.88 51.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.208 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -99.82 27.51 5.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 108.33 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.996 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.28 9.8 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.996 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -74.9 68.67 5.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.156 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -38.09 157.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.616 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.96 104.36 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.376 1.724 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 1.156 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -159.67 -38.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.592 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 34.7 mt-30 -62.31 59.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.639 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -98.14 -49.48 0.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.6 Cg_endo -74.93 159.61 41.36 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.557 1.819 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' HIS . . . . . 0.537 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 2.2 t60 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.693 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER 177.11 165.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.952 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -115.32 50.01 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.787 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.1 m-85 -59.1 -164.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.6 OUTLIER -107.12 38.18 2.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.616 1.197 . . . . 0.0 110.283 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 6' ' ' SER . . . . . 0.426 ' HB3' ' NE ' ' A' ' 36' ' ' ARG . 32.8 t -153.05 6.09 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 110.028 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.793 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 1.3 t -179.21 162.13 1.17 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.108 . . . . 0.0 109.975 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 1.085 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -126.34 -23.71 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' B' ' 11' ' ' TRP . 2.2 mm-40 -83.08 143.21 45.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.493 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -74.97 36.99 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.433 1.754 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' TRP . . . . . 0.697 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -136.46 -37.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 107.984 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.785 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.5 m-85 -96.93 -30.67 0.26 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.785 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -74.93 -43.99 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.545 1.813 . . . . 0.0 111.044 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.537 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.348 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.627 HD11 ' HA ' ' A' ' 22' ' ' LEU . 25.8 pt . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.625 HG13 ' N ' ' A' ' 15' ' ' THR . 2.5 t -124.08 153.99 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.79 149.74 35.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 0.0 108.271 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.842 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.4 m80 -84.33 145.68 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 109.607 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -113.09 114.75 27.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.405 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.879 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.23 -24.43 14.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.572 1.17 . . . . 0.0 110.484 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.528 ' HB2' ' OE1' ' A' ' 41' ' ' GLU . . . -77.5 -50.66 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.95 -104.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.399 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.14 -161.27 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.582 1.176 . . . . 0.0 110.036 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.97 -55.13 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.421 1.748 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.911 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.1 OUTLIER 165.9 100.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.27 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.409 ' O ' HG13 ' A' ' 14' ' ' VAL . 55.6 p -151.26 139.99 20.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.969 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.842 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -77.25 100.08 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.517 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.5 128.3 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.625 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.3 m -47.37 143.27 3.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 0.0 110.461 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.757 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.0 177.61 1.5 Allowed Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.537 1.148 . . . . 0.0 108.303 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.731 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.98 -174.54 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.731 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 17.9 Cg_endo -75.1 116.11 4.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.536 1.809 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.75 -57.09 0.43 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.64 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 37.6 mp0 -67.17 105.65 1.77 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 0.773 . . . . 0.0 110.277 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.411 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.4 m-20 -85.19 6.01 27.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.766 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.22 -170.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -104.04 -170.52 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.532 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.7 p90 -167.56 167.84 13.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.386 1.054 . . . . 0.0 111.068 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.871 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.79 98.65 3.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.253 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.769 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.36 155.44 24.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.439 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.7 mtt -149.75 149.27 30.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.95 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -165.58 -101.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.78 119.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 108.224 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 44.7 t0 -48.26 175.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.506 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -70.58 -2.28 13.72 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.422 1.076 . . . . 0.0 109.218 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' CYS . 4.5 m-85 -117.9 -12.73 10.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.624 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 3.3 t 38.4 60.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.6 m -59.17 175.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.8 m -74.26 -0.86 18.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.752 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 2.3 mmp_? -79.2 5.69 11.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.347 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.79 -125.93 7.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 111.059 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.95 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.7 OUTLIER -97.13 -168.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.79 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.79 -161.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.17 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.75 77.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.684 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.2 mt-10 -92.08 67.85 5.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.585 1.178 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.967 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.1 -176.92 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.27 -147.43 15.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.757 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 6.6 m -111.97 154.79 24.75 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.35 144.16 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.18 -46.91 65.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 46' ' ' ALA . 27.4 p -160.38 163.15 33.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.421 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -35.72 97.85 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 108.301 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 1.055 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -4.58 15.62 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.328 1.699 . . . . 0.0 110.951 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.561 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -24.98 139.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 109.95 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.85 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.97 -114.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.6 1.187 . . . . 0.0 109.266 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.85 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 1.8 mptt -156.33 -52.44 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.737 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.95 -106.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.451 1.764 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.907 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.15 -52.45 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.734 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.0 mt-10 -37.4 72.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.232 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.907 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -86.65 90.36 8.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.055 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.84 158.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.55 -145.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.47 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 10.4 m -152.88 171.95 17.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 108.333 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.77 114.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.431 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 6.9 p -109.75 -35.18 6.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.783 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.68 165.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.544 1.152 . . . . 0.0 110.356 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.01 103.3 3.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 109.252 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 32.7 mttt 66.41 50.41 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.41 27.25 5.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 108.315 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.991 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.24 11.24 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.991 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.98 70.17 5.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.17 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.5 p80 -37.27 156.87 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.554 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.688 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 17.9 Cg_endo -75.01 103.15 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.513 1.797 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 1.082 ' CD ' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -163.31 -40.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.58 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 29.1 mt-30 -53.53 80.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.595 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -166.69 134.21 2.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.475 ' HA ' ' CE2' ' B' ' 12' ' ' TYR . 18.0 Cg_endo -75.02 116.69 4.66 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 0.0 111.052 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' HIS . . . . . 0.649 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 11.5 t60 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.658 ' NH1' ' CE2' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -160.89 172.45 16.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.175 . . . . 0.0 110.254 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.879 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -117.57 41.38 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.752 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.1 m-85 -56.5 175.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.389 1.056 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -88.76 40.33 0.97 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 36.2 t -143.29 -12.22 0.72 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.606 1.191 . . . . 0.0 110.088 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.638 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 41.5 t -170.37 170.63 7.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.911 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.4 tm? -126.09 -26.36 3.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 11' ' ' TRP . 17.9 mm-40 -81.17 144.88 55.11 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 110.351 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.58 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -74.99 26.86 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.517 1.799 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' TRP . . . . . 0.592 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.2 OUTLIER -125.38 -37.54 2.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 108.064 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.736 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 6.5 m-85 -95.09 -35.83 0.28 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.736 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.5 Cg_endo -75.08 -38.05 1.72 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.649 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 2.1 t70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.604 HD11 ' HA ' ' A' ' 22' ' ' LEU . 27.2 pt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.643 HG13 ' N ' ' A' ' 15' ' ' THR . 2.9 t -122.94 153.05 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.868 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.32 149.45 36.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 108.269 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.862 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 8.8 m80 -84.56 145.73 27.91 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.385 1.053 . . . . 0.0 109.703 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -111.89 115.04 28.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.373 1.046 . . . . 0.0 110.375 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.967 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.29 -18.35 14.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.599 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -83.91 -49.82 8.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -103.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.349 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.96 -161.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.0 Cg_endo -75.07 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.097 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.99 102.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.2 p -152.71 139.23 18.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.923 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.862 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -77.96 102.38 7.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.348 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.588 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -130.33 126.72 61.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 0.0 109.257 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.643 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.3 m -47.95 142.25 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.175 . . . . 0.0 110.351 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.733 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.28 178.28 1.41 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.318 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.76 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.0 Cg_endo -75.15 -173.5 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.76 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.07 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.503 1.791 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.91 -57.27 0.4 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.65 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.0 mp0 -66.95 103.89 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.418 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.3 m-20 -83.6 6.49 20.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.757 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -174.42 -171.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.868 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -102.99 -169.5 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.193 . . . . 0.0 108.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.537 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.2 p90 -168.59 167.5 11.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.595 1.184 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.949 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.58 99.05 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.233 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.77 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.39 156.31 24.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -149.77 152.73 35.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.951 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.17 -100.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.655 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.47 118.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.147 . . . . 0.0 108.273 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.569 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 46.2 t0 -47.2 175.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.06 -0.39 9.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.376 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.6 m-85 -121.39 -10.91 8.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.58 1.175 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.607 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 3.4 t 38.27 61.79 1.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 108.302 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -61.33 175.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.5 m -73.02 -3.36 25.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.965 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.801 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.0 mmp_? -77.07 6.68 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.49 -125.26 7.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.113 . . . . 0.0 111.063 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.951 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -97.26 -168.93 1.77 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.481 0.754 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.797 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.5 -163.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.139 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -152.93 76.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.686 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.1 mt-10 -91.42 68.56 5.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.949 HD23 ' HG2' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -66.41 -178.08 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.371 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.83 -146.69 13.46 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.739 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 5.1 m -112.54 154.88 25.27 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.69 144.6 4.29 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.595 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.33 -47.46 66.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 46' ' ' ALA . 25.1 p -160.1 162.61 34.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.7 97.71 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.265 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 1.024 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -74.99 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.573 1.828 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.56 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.07 139.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.971 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.841 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.9 -115.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.841 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.08 -52.4 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.741 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -75.01 -106.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.432 1.754 . . . . 0.0 110.993 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.887 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.35 -53.64 5.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.733 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -36.08 73.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.887 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -86.98 89.83 8.13 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.6 1.187 . . . . 0.0 110.294 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.024 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.4 157.96 3.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.34 -145.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.5 m -153.49 172.38 17.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 108.306 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.162 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.15 114.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 108.269 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.423 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 14.7 p -109.09 -35.19 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.08 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.785 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.47 165.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.374 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.97 102.66 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.4 mttm 67.14 50.56 0.99 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.61 1.194 . . . . 0.0 109.306 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 1.162 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.89 27.23 5.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.997 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.84 9.54 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.997 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -75.01 69.2 5.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.544 1.812 . . . . 0.0 110.984 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.139 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.8 p80 -37.42 157.72 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.581 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.655 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.1 Cg_endo -75.06 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.41 1.742 . . . . 0.0 110.94 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 1.105 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.53 -44.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.521 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 35.8 mt-30 -56.48 83.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.684 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . 1.8 ttt-85 -143.97 -61.47 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.684 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.3 Cg_endo -75.01 61.23 5.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.772 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' B' ' 9' ' ' GLU . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.536 1.147 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 1' ' ' HIS . . . . . 0.618 ' H2 ' ' CB ' ' B' ' 14' ' ' ASP . 13.4 t-80 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.673 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -159.52 167.2 29.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.967 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.89 49.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 1.07 . . . . 0.0 111.069 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.801 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -58.53 -166.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.92 40.1 1.65 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 38.4 t -146.64 -10.83 0.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.44 1.088 . . . . 0.0 110.065 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.622 ' OG ' ' HB2' ' B' ' 12' ' ' TYR . 29.1 t -167.34 170.82 11.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 1.097 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.6 tm? -129.44 -18.38 3.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 11' ' ' TRP . 5.2 mm-40 -86.08 143.48 37.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.554 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.03 29.3 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' TRP . . . . . 0.607 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.6 t90 -126.8 -37.96 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 108.019 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.737 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 49.3 m-85 -94.54 -35.53 0.3 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.737 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.7 Cg_endo -74.92 -40.38 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.767 . . . . 0.0 111.061 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.618 ' CB ' ' H2 ' ' B' ' 1' ' ' HIS . 2.2 t0 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ILE . . . . . 0.62 HD11 ' HA ' ' A' ' 22' ' ' LEU . 27.5 pt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.608 HG13 ' N ' ' A' ' 15' ' ' THR . 3.1 t -123.79 156.02 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.898 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.75 150.44 37.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 108.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.839 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.4 m80 -84.96 146.95 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -114.51 115.15 26.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.884 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.22 -24.53 14.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.337 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.506 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -77.57 -51.2 11.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -104.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.472 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.85 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.1 -161.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.978 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.85 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.95 -54.83 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.504 1.791 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.909 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.1 OUTLIER 165.79 100.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.41 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.6 p -152.69 141.16 20.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.839 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -77.58 99.86 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.542 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -125.78 127.45 71.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.608 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.8 m -47.01 142.92 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.454 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.743 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.86 177.65 1.46 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 108.299 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.737 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.4 Cg_endo -75.0 -174.32 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.737 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -75.11 117.26 4.82 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.527 1.803 . . . . 0.0 110.969 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.28 -57.22 0.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.665 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 3.7 mp0 -66.12 104.45 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 110.326 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.511 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.5 m-20 -85.11 9.32 15.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 1.025 HD11 ' SG ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -176.48 -168.28 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.632 1.208 . . . . 0.0 109.252 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.898 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -106.38 -170.76 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 108.345 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.538 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 17.3 p90 -166.35 168.06 15.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.86 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -137.48 100.39 4.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.777 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -84.45 155.38 22.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.335 1.022 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.456 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.6 mtt -149.54 150.24 31.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.97 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.26 -101.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 108.112 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.665 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.09 120.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.51 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 45.1 t0 -48.99 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.51 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -69.89 -3.03 14.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.474 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.7 m-85 -115.28 -14.14 11.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 111.043 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.657 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 1.7 t 35.59 61.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.384 1.052 . . . . 0.0 108.364 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.7 m -67.28 176.58 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -68.72 -5.4 20.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.771 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 5.3 mmm180 -72.6 2.7 5.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.33 -127.03 8.13 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.444 1.09 . . . . 0.0 111.017 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.97 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.3 OUTLIER -97.34 -168.62 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 0.799 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.787 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -105.7 -162.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 1.173 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.29 77.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.539 1.149 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.686 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.4 mt-10 -92.31 67.77 4.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 110.272 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.962 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -65.58 -175.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 156.57 -148.3 18.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.559 1.162 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . 0.743 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 8.4 m -110.14 155.75 21.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.477 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -171.5 143.52 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.373 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.59 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -51.31 -46.73 62.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.59 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 40.6 p -159.76 161.61 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.856 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.9 OUTLIER -37.68 99.28 0.18 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.592 1.183 . . . . 0.0 108.326 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 1.034 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.08 0.89 8.39 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.409 1.742 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.546 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -26.87 140.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.839 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -95.25 -114.15 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.839 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -155.99 -52.87 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.723 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.0 -106.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.909 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -82.79 -52.88 6.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 111.052 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.702 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -37.39 72.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.909 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.1 OUTLIER -86.81 88.5 7.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.188 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.034 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.15 158.42 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.466 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 1.3 m -131.76 -154.43 0.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' CYS . . . . . 1.025 ' SG ' HD11 ' A' ' 22' ' ' LEU . 1.2 m -141.43 176.64 8.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 108.27 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 176.63 112.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.097 . . . . 0.0 108.289 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.489 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 8.7 p -109.0 -36.09 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 109.927 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.778 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -47.67 162.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.366 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.74 104.14 1.58 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.218 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.504 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 17.8 mttm 64.1 51.24 2.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.7 p -98.45 26.95 5.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 108.368 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.992 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.84 11.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.992 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -74.93 70.53 5.22 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 1.173 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.4 p80 -37.68 156.41 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.551 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.695 ' C ' ' HD3' ' A' ' 70' ' ' LYS . 18.1 Cg_endo -75.06 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.569 1.826 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 1.086 ' CD ' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -163.29 -39.78 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.584 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 28.0 mt-30 -52.26 80.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 70' ' ' LYS . 2.3 ttm-85 -165.49 132.19 2.18 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.59 ' HA ' ' CE2' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.89 114.19 3.97 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.51 1.795 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.917 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' HIS . . . . . 0.647 ' H2 ' ' CB ' ' B' ' 14' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 2' ' ' ARG . . . . . 0.659 ' NH1' ' CE2' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -158.99 173.69 16.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.884 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -118.4 40.3 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 4' ' ' TYR . . . . . 0.771 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.2 m-85 -54.47 177.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 2.3 pt-20 -91.53 34.48 0.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' SER . . . . . 0.488 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 36.0 t -138.58 -6.84 1.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.644 1.215 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.629 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 42.2 t -174.52 170.48 3.5 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.459 1.099 . . . . 0.0 109.93 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.909 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.4 tm? -126.96 -26.4 3.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 11' ' ' TRP . 5.0 mm-40 -81.31 145.13 55.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' PRO . . . . . 0.607 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.02 26.32 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' TRP . . . . . 0.591 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.8 t-105 -124.89 -37.72 2.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 108.026 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.734 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 7.7 m-85 -94.56 -36.13 0.3 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' PRO . . . . . 0.734 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -75.0 -38.72 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ASP . . . . . 0.647 ' CB ' ' H2 ' ' B' ' 1' ' ' HIS . 2.8 t0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.585 HD11 ' HA ' ' A' ' 22' ' ' LEU . 28.7 pt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.615 HG13 ' N ' ' A' ' 15' ' ' THR . 3.6 t -125.61 158.3 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.996 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -146.53 150.18 35.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 108.332 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.85 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.5 m80 -84.3 147.61 27.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -113.05 114.3 26.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.932 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.15 -16.71 15.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.571 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -85.19 -49.56 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.89 -104.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.359 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.848 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -62.81 -161.64 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.848 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.7 Cg_endo -74.97 -54.53 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.468 1.773 . . . . 0.0 111.081 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.095 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.23 103.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 109.365 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.426 ' O ' HG13 ' A' ' 14' ' ' VAL . 51.8 p -154.76 139.58 17.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.6 1.188 . . . . 0.0 109.934 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.85 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.77 99.03 4.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.559 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.05 127.99 71.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.226 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.615 ' N ' HG13 ' A' ' 2' ' ' VAL . 9.4 m -48.25 141.98 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.778 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.91 178.6 1.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.743 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.91 -174.21 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.532 1.807 . . . . 0.0 111.058 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.743 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 115.78 4.39 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.0 -55.96 0.45 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.453 1.095 . . . . 0.0 110.966 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.667 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 33.4 mp0 -66.42 105.33 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 0.746 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.431 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.7 m-20 -86.14 7.18 25.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.775 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -174.66 -170.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.996 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -104.14 -171.58 1.96 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 108.243 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 19.1 p90 -166.9 167.93 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.955 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.917 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -136.83 98.78 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.361 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.782 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.31 155.98 24.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.6 mtt -149.87 149.44 30.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.967 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.16 -101.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.69 119.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 108.218 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.512 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 40.8 t0 -48.21 178.04 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.66 -0.76 13.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.398 1.061 . . . . 0.0 109.252 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.5 m-85 -119.71 -11.86 9.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.62 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 4.0 t 37.5 59.14 1.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.8 m -59.51 176.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.046 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -73.04 -2.42 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.942 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.814 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -76.99 3.8 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.239 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.94 -124.18 7.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.967 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -97.95 -168.86 1.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 0.74 . . . . 0.0 109.371 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.799 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.68 -162.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.126 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.5 75.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.659 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.7 mt-10 -90.13 68.28 7.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.939 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.68 -179.34 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.231 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.498 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.58 -146.75 13.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.778 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 4.8 m -112.15 155.32 24.12 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.77 144.92 4.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.633 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.84 -46.96 68.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.224 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.7 p -160.57 162.47 32.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.442 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.84 97.66 0.13 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.36 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.044 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -74.95 -4.57 15.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.45 1.763 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.11 139.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.923 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.841 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.85 -114.93 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.841 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -155.93 -52.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.737 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.2 Cg_endo -75.0 -107.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.792 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.894 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.4 p90 -82.39 -53.13 6.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.74 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.6 mt-10 -36.63 72.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.894 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -87.08 90.57 8.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 110.23 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.044 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.6 t -98.43 158.03 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.233 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.57 -145.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.587 1.179 . . . . 0.0 110.386 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.3 m -153.16 171.98 17.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.374 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.95 114.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 108.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.498 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 24.6 p -110.02 -34.52 6.39 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.783 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.3 165.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.7 103.54 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.487 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.8 mttm 65.31 50.99 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.36 27.34 5.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 108.291 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 1.0 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.78 9.57 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.0 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.95 69.42 5.51 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.4 1.737 . . . . 0.0 111.042 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.132 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.7 p80 -37.83 158.04 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.571 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.648 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -74.98 104.59 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.522 1.801 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 1.132 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.99 -40.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.579 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 33.8 mt-30 -57.05 78.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.371 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 70' ' ' LYS . 46.2 ttt180 -167.96 141.27 2.69 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.3 Cg_endo -75.04 108.75 2.79 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.563 1.164 . . . . 0.0 110.985 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.769 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 3.4 t-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.673 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -172.6 168.11 5.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.932 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.72 49.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.602 1.189 . . . . 0.0 110.999 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.814 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.4 m-85 -58.8 -165.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.51 39.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.274 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 6' ' ' SER . . . . . 0.429 ' CB ' ' NE ' ' A' ' 36' ' ' ARG . 13.0 t -148.68 -4.61 0.44 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.643 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 15.6 t -173.09 166.89 4.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 1.095 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -125.83 -23.17 4.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.093 . . . . 0.0 109.359 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.513 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.0 mm-40 -83.4 144.04 45.71 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.509 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -74.92 24.88 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.588 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.3 t-105 -124.65 -34.5 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.741 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.2 m-30 -96.68 -35.75 0.27 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.741 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.1 Cg_endo -75.01 -37.47 2.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.602 1.843 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.769 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 2.2 t0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.233 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 22' ' ' LEU . 32.2 pt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.641 HG13 ' N ' ' A' ' 15' ' ' THR . 3.2 t -127.09 155.79 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.83 149.93 36.26 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 108.286 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.848 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.2 m80 -84.78 145.87 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.556 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -111.41 114.58 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.938 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.53 -16.11 15.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.449 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.584 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -86.11 -49.01 8.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.97 -103.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.854 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.55 -161.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.854 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.97 -54.62 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.498 1.789 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.088 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.98 103.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.423 ' O ' HG13 ' A' ' 14' ' ' VAL . 52.9 p -154.09 138.95 17.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.039 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.848 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.68 99.97 5.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.625 1.203 . . . . 0.0 109.256 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.566 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.66 127.13 68.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.641 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.3 m -48.05 142.56 5.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.772 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.63 178.42 1.35 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 108.333 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.759 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.6 Cg_endo -74.89 -173.63 1.62 Allowed 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.759 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 114.31 4.0 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.359 1.715 . . . . 0.0 111.055 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.44 -56.34 0.43 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.675 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 12.9 mp0 -66.57 103.71 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.594 0.82 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.428 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.7 m-20 -83.98 5.76 24.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -173.65 -171.37 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.06 -170.8 1.84 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 0.0 108.282 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.516 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.4 p90 -167.79 167.29 13.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.93 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.27 98.93 3.97 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.549 1.156 . . . . 0.0 110.346 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.762 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.5 156.14 24.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.453 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.13 150.81 32.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.965 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.27 -101.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 107.997 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.668 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.41 118.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 108.337 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.504 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 42.3 t0 -47.07 177.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.64 -0.65 13.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.6 m-85 -120.72 -10.21 9.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.604 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 3.1 t 37.1 62.43 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.9 m -60.55 175.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.687 ' CB ' HH21 ' A' ' 36' ' ' ARG . 47.4 m -72.8 -4.73 33.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.77 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.1 mmp_? -76.04 5.51 6.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.05 -124.59 7.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.614 1.196 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.965 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -97.08 -169.41 1.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.235 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.789 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.42 -161.73 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.138 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.93 76.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.661 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.8 mt-10 -90.62 68.33 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.957 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.54 -178.34 0.68 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.422 1.076 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.65 -146.91 13.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.772 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.1 m -112.14 155.13 24.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.445 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.46 144.93 4.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.402 1.064 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.71 -47.58 67.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 46' ' ' ALA . 25.1 p -160.35 161.07 33.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.627 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.03 97.68 0.12 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 108.303 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.035 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.98 -5.06 16.32 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.446 1.761 . . . . 0.0 110.992 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.56 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -24.86 139.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.852 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.91 -114.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.371 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.852 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.29 -52.35 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.07 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.741 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.94 -106.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.901 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.25 -53.67 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.73 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -36.14 72.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.901 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -86.46 90.71 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.035 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.4 t -98.56 158.11 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -127.4 -144.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.627 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.3 m -154.36 171.86 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 108.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.76 114.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.338 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.431 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 18.9 p -110.25 -33.88 6.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.153 . . . . 0.0 110.056 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.788 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.64 166.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.385 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.68 103.33 3.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.483 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.2 mttm 65.53 51.2 1.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.593 1.183 . . . . 0.0 109.308 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -99.78 27.39 5.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 108.31 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.999 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.16 9.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.999 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.94 69.66 5.44 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.452 1.764 . . . . 0.0 111.098 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.138 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.9 p80 -38.32 158.11 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.629 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.649 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -75.04 104.81 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 111.05 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 1.124 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.87 -41.05 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 109.263 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.56 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 32.9 mt-30 -54.56 79.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.325 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -164.58 132.78 2.61 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.38 3.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.942 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.549 ' H2 ' ' C ' ' B' ' 14' ' ' ASP . 28.6 t-80 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.688 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -166.0 167.49 16.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.938 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.15 49.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.77 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -59.39 -166.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.935 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.5 39.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.72 -3.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.656 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 18.8 t -174.18 167.03 4.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.911 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 1.088 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.6 tm? -126.58 -23.11 3.81 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.6 mm-40 -83.73 145.03 46.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.356 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.54 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -74.95 24.07 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.415 1.745 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.606 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.3 OUTLIER -123.33 -38.18 2.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 108.077 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.74 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 7.0 m-85 -92.79 -35.91 0.34 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.74 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.5 Cg_endo -74.88 -37.97 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.522 1.801 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.549 ' C ' ' H2 ' ' B' ' 1' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.567 HD11 ' HA ' ' A' ' 22' ' ' LEU . 28.0 pt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.611 HG13 ' N ' ' A' ' 15' ' ' THR . 3.4 t -125.48 156.11 34.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.983 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.4 m -144.92 149.58 35.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.838 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.1 m80 -83.14 146.61 28.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -112.2 114.62 27.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.349 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.943 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.24 -17.31 15.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.426 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.569 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.74 -49.08 8.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.0 -104.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.852 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.14 -161.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.071 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.852 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.97 -55.25 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.477 1.778 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.095 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.88 103.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.243 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.459 ' O ' HG13 ' A' ' 14' ' ' VAL . 52.5 p -156.01 138.84 15.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.838 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -75.48 98.59 3.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.533 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.3 128.15 71.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.611 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.1 m -47.22 142.75 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.792 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -99.37 178.85 1.17 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.573 1.171 . . . . 0.0 108.318 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.731 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -74.99 -174.67 2.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 0.0 111.029 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.731 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 118.69 5.36 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 149.13 -55.03 0.49 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.626 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 37.3 mp0 -67.71 106.64 2.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.589 0.817 . . . . 0.0 110.243 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.4 m-20 -87.01 5.2 38.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -172.06 -171.35 0.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.983 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.8 m -103.02 -171.7 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.523 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 19.2 p90 -167.24 167.9 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.927 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.99 98.97 3.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.77 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.46 155.82 24.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.385 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.62 149.34 30.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.97 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.47 -101.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.143 . . . . 0.0 107.969 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.46 121.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 108.329 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.549 ' OD1' ' NE ' ' B' ' 2' ' ' ARG . 42.3 t0 -49.61 178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.02 -1.4 14.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.6 m-85 -116.97 -14.8 10.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.951 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.674 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 1.7 t 35.51 60.58 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 108.329 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.4 m -72.8 177.06 5.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.436 ' C ' ' H ' ' A' ' 37' ' ' GLY . 11.1 m -64.25 -9.5 17.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.034 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.765 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 9.5 mmm180 -67.65 1.49 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 84.23 -129.37 9.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.42 1.075 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.97 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -96.01 -168.2 1.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.792 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -106.45 -162.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.135 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.22 76.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.349 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.66 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.7 mt-10 -90.33 68.98 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.959 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.89 -176.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.193 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 156.45 -148.36 18.17 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.582 1.176 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.845 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 25.9 m -111.27 154.06 25.02 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.03 144.75 5.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.303 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' ' 47' ' ' THR . . . -51.79 -48.03 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.3 p -160.4 161.59 33.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.54 97.45 0.11 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.036 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.4 Cg_endo -74.97 -4.82 15.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.473 1.775 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.564 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -24.82 139.61 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.862 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.41 -114.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.862 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.61 -52.44 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.734 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.9 -107.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.559 1.821 . . . . 0.0 110.988 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.906 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.51 -53.18 6.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.744 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.7 mt-10 -36.52 72.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.906 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -86.25 89.64 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.036 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.65 157.99 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.8 -146.22 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 13.1 m -152.46 172.35 16.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 108.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.202 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.52 115.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 108.394 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.494 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 33.6 p -110.58 -35.26 6.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.92 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.775 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.83 165.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.434 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.87 104.48 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.336 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.476 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 38.0 mttt 64.47 51.32 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.202 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.88 27.41 5.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 108.258 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.997 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.11 10.12 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.997 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -74.9 69.29 5.5 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.45 1.763 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.14 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.9 p80 -38.24 157.78 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.633 1.208 . . . . 0.0 109.684 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.652 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.98 105.12 2.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.812 . . . . 0.0 111.059 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 1.14 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -160.44 -40.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.399 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.581 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 31.7 mt-30 -54.91 79.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' A' ' 70' ' ' LYS . 3.2 ttt180 -163.28 133.03 3.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 114.36 4.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.956 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.57 ' H2 ' ' C ' ' B' ' 14' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.686 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -164.82 167.94 18.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.083 . . . . 0.0 110.299 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.943 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.58 48.5 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 111.052 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.765 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.5 m-85 -56.37 -165.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 6.4 pt-20 -107.07 34.47 3.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 1.18 . . . . 0.0 110.363 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' SER . . . . . 0.424 ' HB3' ' NE ' ' A' ' 36' ' ' ARG . 40.8 t -145.18 -0.35 0.88 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.689 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 14.3 t -175.0 166.44 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.092 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 1.095 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -127.26 -24.26 3.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.621 1.201 . . . . 0.0 109.329 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' B' ' 11' ' ' TRP . 5.7 mm-40 -81.85 144.8 52.46 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.535 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.3 Cg_endo -75.02 25.12 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.612 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 3.8 t-105 -125.22 -37.74 2.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.741 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.6 m-85 -93.03 -35.53 0.33 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.741 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.93 -39.5 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.542 1.812 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.57 ' C ' ' H2 ' ' B' ' 1' ' ' HIS . 6.7 t70 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 109.239 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.641 HD11 ' HA ' ' A' ' 22' ' ' LEU . 32.6 pt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.638 HG13 ' N ' ' A' ' 15' ' ' THR . 3.3 t -126.69 155.07 37.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.23 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.6 150.58 37.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.15 . . . . 0.0 108.342 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.863 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.1 m80 -85.82 145.99 26.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.607 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -111.69 115.08 28.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.437 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.951 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.74 -17.34 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.616 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.77 -49.49 8.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.43 -103.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.43 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.855 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.81 -161.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.045 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.855 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.95 -54.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.05 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.103 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.02 103.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.407 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.3 p -153.16 138.68 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.863 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -77.11 100.72 5.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.58 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -128.96 127.16 65.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.195 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.638 ' N ' HG13 ' A' ' 2' ' ' VAL . 8.6 m -48.15 142.21 5.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.774 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.12 178.46 1.36 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 108.188 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.765 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.98 -173.4 1.55 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.425 1.75 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.765 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.0 114.58 4.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.34 -56.29 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.672 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 7.7 mp0 -67.37 103.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.424 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.3 m-20 -83.41 5.62 22.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.3 -171.36 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.411 1.069 . . . . 0.0 109.311 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.34 -170.01 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 108.415 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.53 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 19.2 p90 -168.3 167.84 11.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.948 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.69 98.58 3.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.085 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.757 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -81.97 156.23 24.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -150.12 151.51 33.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.95 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.78 -100.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.059 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.689 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -178.26 117.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 108.339 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 46.7 t0 -48.66 175.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.511 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -69.93 -2.08 11.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.7 m-85 -117.01 -13.04 10.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.598 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 4.6 t 37.71 60.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 108.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.8 m -59.86 174.36 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.936 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 m -71.66 -4.36 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.941 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.746 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.3 mmp_? -76.1 5.94 6.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.42 -125.29 7.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.95 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -96.5 -169.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.797 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.11 -162.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.127 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.51 76.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.368 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.683 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 2.9 mt-10 -91.4 68.07 5.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 110.267 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.953 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -65.86 -177.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.38 -146.85 13.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.774 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.8 m -112.37 155.24 24.48 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.451 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.81 144.55 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.608 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.41 -47.82 66.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.9 p -160.06 161.26 33.88 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.37 97.65 0.12 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.24 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.045 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -74.99 -5.26 16.58 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.577 1.83 . . . . 0.0 111.076 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -24.1 139.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.056 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.842 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.64 -114.77 0.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.435 1.084 . . . . 0.0 109.255 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.842 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.03 -52.65 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.738 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -74.85 -106.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.901 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.76 -53.26 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.734 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.8 mt-10 -36.54 72.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.901 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -86.58 90.08 8.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 110.259 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.045 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.4 t -97.48 158.41 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.5 m -127.78 -145.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.2 m -153.54 172.04 17.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 108.306 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.6 114.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 108.325 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 6.4 p -110.4 -34.38 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.09 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.49 165.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.431 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.19 103.82 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.482 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 38.7 mttt 65.2 51.0 1.7 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.542 1.152 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.78 27.34 5.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.232 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 1.0 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.99 9.48 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.0 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.87 69.66 5.39 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.534 1.807 . . . . 0.0 111.065 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.127 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.7 p80 -38.2 158.13 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.506 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.662 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -75.0 104.65 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.557 1.819 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 1.118 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.2 -41.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.541 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 32.0 mt-30 -55.56 80.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 70' ' ' LYS . 51.4 ttp180 -168.85 140.54 2.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.318 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -75.11 112.72 3.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.478 1.112 . . . . 0.0 110.946 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.666 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 1.8 t-80 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.698 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -162.16 168.34 22.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.614 1.196 . . . . 0.0 110.242 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.951 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.63 49.87 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.746 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -59.88 -166.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.513 ' CG ' ' O ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.36 38.94 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 6' ' ' SER . . . . . 0.455 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 33.1 t -146.4 -5.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.622 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 13.5 t -172.99 169.05 4.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.914 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 1.103 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -127.87 -21.34 3.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' B' ' 11' ' ' TRP . 1.3 mt-10 -85.27 144.53 41.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.55 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -74.99 26.0 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.608 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.3 OUTLIER -124.64 -37.41 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.0 m-85 -94.31 -35.49 0.3 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.92 -38.97 1.39 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.545 1.813 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.666 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 3.5 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.556 HD11 ' HA ' ' A' ' 22' ' ' LEU . 30.1 pt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.591 HG13 ' N ' ' A' ' 15' ' ' THR . 2.9 t -124.75 157.15 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 1.007 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.7 m -146.06 149.87 34.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.834 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.1 m80 -83.33 147.68 27.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.624 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -113.32 114.44 26.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.952 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.1 -16.88 15.63 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.544 1.152 . . . . 0.0 110.378 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.6 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -85.2 -49.2 8.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.86 -104.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.852 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.07 -161.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.852 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.95 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.114 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.49 104.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.435 ' O ' HG13 ' A' ' 14' ' ' VAL . 51.4 p -157.01 139.78 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.834 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.14 97.83 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.5 ' C ' HG13 ' A' ' 2' ' ' VAL . 1.0 OUTLIER -124.61 129.5 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.591 ' N ' HG13 ' A' ' 2' ' ' VAL . 5.1 m -48.16 143.08 4.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.369 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.787 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.5 178.99 1.1 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.378 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.716 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.1 Cg_endo -75.01 -175.15 2.22 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.57 1.826 . . . . 0.0 110.974 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.716 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.5 Cg_endo -75.05 118.81 5.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.571 1.827 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 149.22 -55.67 0.49 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.641 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 36.7 mp0 -66.49 106.1 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 0.817 . . . . 0.0 110.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.417 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.6 m-20 -86.68 5.29 36.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -172.23 -171.55 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 1.007 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.8 m -102.54 -172.22 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 108.24 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.525 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.9 p90 -167.03 167.52 14.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.972 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.49 99.27 4.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.769 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.86 157.05 23.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.226 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.487 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.35 152.95 35.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.596 1.185 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.976 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.58 -101.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 107.967 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.664 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.36 121.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 108.239 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.55 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 42.4 t0 -49.42 177.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.85 -1.65 14.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.3 m-85 -116.93 -13.94 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.66 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 1.9 t 35.45 60.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 108.282 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.0 m -71.52 175.9 5.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.428 ' C ' ' H ' ' A' ' 37' ' ' GLY . 14.0 m -64.68 -8.8 15.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.756 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 8.7 mmm180 -68.25 1.53 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 85.09 -127.94 8.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.976 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -97.05 -169.12 1.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 0.76 . . . . 0.0 109.355 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.797 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -105.05 -163.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.127 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -152.45 77.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 0.0 109.23 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.677 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -92.62 70.11 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.972 HD23 ' HG2' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -67.25 -176.7 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.381 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 156.86 -148.96 19.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.377 1.048 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 23.9 m -110.94 153.54 25.37 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.414 ' N ' ' HB3' ' A' ' 20' ' ' GLU . . . -165.61 145.64 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.353 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.72 -47.83 67.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.9 p -160.58 162.16 32.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.509 1.131 . . . . 0.0 110.468 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.625 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.91 97.11 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.322 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.048 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.4 Cg_endo -74.88 -4.65 15.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.521 1.8 . . . . 0.0 111.049 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.558 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -25.3 139.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.927 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.848 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.19 -114.62 0.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.848 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -156.17 -52.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.392 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.732 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.1 Cg_endo -75.0 -107.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.898 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.51 -52.96 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.738 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.0 mt-10 -36.91 72.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.898 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -86.76 90.42 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 110.233 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.048 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.29 158.18 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.344 1.028 . . . . 0.0 109.284 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.74 -146.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.456 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.625 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.8 m -152.64 172.29 16.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 108.252 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.204 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 178.82 115.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.456 1.097 . . . . 0.0 108.381 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.495 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 24.7 p -109.63 -35.09 6.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.79 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.44 164.01 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.44 103.13 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HG2' ' CB ' ' A' ' 13' ' ' ALA . 72.0 mttt 66.63 50.32 1.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.373 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.204 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.7 p -99.91 28.45 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.331 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.994 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.88 10.44 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.994 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.99 69.6 5.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.134 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -38.37 158.27 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.65 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.635 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.5 Cg_endo -74.91 104.18 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.536 1.808 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 1.134 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.5 -40.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.544 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 30.7 mt-30 -56.47 78.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.411 1.069 . . . . 0.0 110.349 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 70' ' ' LYS . 55.9 ttt180 -167.36 141.38 3.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -75.03 112.72 3.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.436 1.756 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.654 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 13.1 t-80 . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.68 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -169.48 167.87 9.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.135 . . . . 0.0 110.411 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.952 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.61 48.16 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.756 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.6 m-85 -56.15 -165.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 7.0 pt-20 -106.57 32.25 4.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' SER . . . . . 0.515 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 17.7 t -142.2 -0.24 1.29 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.68 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 31.0 t -176.18 167.53 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 1.114 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.4 tm? -126.6 -27.31 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' B' ' 11' ' ' TRP . 4.6 mm-40 -79.39 144.12 61.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.526 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -74.94 24.78 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.612 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.9 OUTLIER -123.33 -38.43 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 107.994 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.6 m-30 -93.65 -35.48 0.32 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.99 -37.25 2.11 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.497 1.788 . . . . 0.0 111.054 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.654 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 2.7 t0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.61 HD11 ' HA ' ' A' ' 22' ' ' LEU . 28.2 pt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.623 HG13 ' N ' ' A' ' 15' ' ' THR . 3.3 t -125.74 157.36 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.97 150.23 35.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 108.293 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.847 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.0 m80 -84.9 147.12 26.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.565 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -113.02 115.49 28.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.966 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.52 -17.91 15.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.612 1.195 . . . . 0.0 110.478 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.26 -49.72 8.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.14 -103.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.414 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.858 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -64.03 -161.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.969 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.858 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.6 Cg_endo -75.07 -54.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.779 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.106 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.06 102.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.445 ' O ' HG13 ' A' ' 14' ' ' VAL . 59.1 p -153.92 138.94 17.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.618 1.199 . . . . 0.0 109.929 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.847 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.21 100.03 4.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.565 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.55 128.0 69.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.588 1.18 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.623 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.0 m -47.85 142.7 4.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.471 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.768 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.76 178.93 1.16 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 108.347 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.738 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.0 -174.56 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.738 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.99 115.1 4.19 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.502 1.79 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.89 -56.37 0.43 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.409 1.068 . . . . 0.0 111.031 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.654 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 41.1 mp0 -66.54 104.43 1.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 0.755 . . . . 0.0 110.35 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.9 m-20 -84.62 5.97 25.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.12 -170.8 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.602 1.189 . . . . 0.0 109.255 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.76 -170.96 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.345 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.537 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.1 p90 -167.59 167.51 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.934 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.48 99.19 4.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.342 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.771 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.58 156.76 23.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.48 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -150.3 151.63 33.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.975 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -168.5 -101.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 107.991 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.65 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.57 120.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 108.302 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.542 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.5 t0 -49.4 177.96 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.524 1.14 . . . . 0.0 109.215 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.37 -0.76 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.611 1.194 . . . . 0.0 109.247 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.9 m-85 -117.92 -13.78 10.05 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.572 1.17 . . . . 0.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.638 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 2.8 t 35.97 60.29 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -67.9 175.87 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.946 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.5 m -67.25 -6.66 19.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 110.048 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.77 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 6.0 mmm180 -71.19 2.67 4.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.7 -128.2 8.66 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.528 1.143 . . . . 0.0 111.063 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.975 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -96.24 -169.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.805 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.57 -163.78 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.124 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -152.53 77.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.687 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 2.9 mt-10 -92.0 69.69 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 0.0 110.241 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.956 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -67.72 -179.0 1.03 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.626 1.204 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.88 -145.92 11.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.58 1.175 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.768 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.7 m -113.49 154.13 27.55 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.59 144.65 5.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.01 -47.16 65.1 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.8 p -160.71 161.95 32.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.632 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.81 97.51 0.12 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 108.299 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.024 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.01 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -25.23 139.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.082 . . . . 0.0 110.031 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.855 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.36 -114.54 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.388 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.855 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.63 -52.29 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.737 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.95 -106.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.883 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.35 -53.15 5.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.743 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.7 mt-10 -36.26 73.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.883 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -86.92 90.74 8.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.236 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.024 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.59 158.26 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.93 -146.25 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.351 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.632 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.3 m -152.6 171.75 17.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 108.384 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.164 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.9 115.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 108.291 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.493 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 23.0 p -110.9 -35.33 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.971 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.35 165.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.3 103.46 2.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 18.4 mttm 65.37 51.32 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.162 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.164 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.91 27.62 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 108.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.995 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.07 9.48 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.18 . . . . 0.0 109.285 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.995 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.9 69.52 5.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.553 1.817 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.124 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.7 p80 -38.1 157.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.069 . . . . 0.0 109.631 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.664 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -75.01 104.34 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.562 1.822 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 1.105 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -162.22 -37.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.58 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 33.6 mt-30 -60.39 61.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.661 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -99.07 -53.95 0.19 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.162 . . . . 0.0 110.345 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.599 ' HB2' ' CE2' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.96 -163.04 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.771 . . . . 0.0 111.064 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.428 1.08 . . . . 0.0 110.989 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.627 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 3.4 p-80 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.683 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -163.86 167.21 21.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.361 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.966 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.14 49.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.893 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.77 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -57.45 -165.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 1.7 pt-20 -106.91 34.7 3.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' SER . . . . . 0.516 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 12.6 t -144.6 -3.51 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.953 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.614 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 19.6 t -172.66 165.56 5.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.017 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 1.106 HD21 ' CD1' ' A' ' 11' ' ' ILE . 2.0 tm? -126.28 -23.58 3.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.518 ' C ' ' H ' ' B' ' 11' ' ' TRP . 75.3 mm-40 -81.86 143.97 50.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 110.364 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.522 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.5 Cg_endo -74.97 27.83 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.462 1.769 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.622 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.7 OUTLIER -126.84 -38.18 2.06 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 45.2 m-85 -94.0 -34.95 0.31 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.98 -42.0 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.407 1.741 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.627 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 3.5 t0 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.399 1.062 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.637 HD11 ' HA ' ' A' ' 22' ' ' LEU . 32.6 pt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.629 HG13 ' N ' ' A' ' 15' ' ' THR . 3.4 t -126.71 156.04 37.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.43 148.92 33.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.85 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 8.8 m80 -84.11 146.15 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.41 1.068 . . . . 0.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -112.45 115.12 28.18 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.138 . . . . 0.0 110.428 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.944 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.1 -18.74 14.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.404 1.065 . . . . 0.0 110.408 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -83.29 -50.24 8.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.7 -103.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.17 . . . . 0.0 110.466 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.853 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.74 -161.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.081 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.853 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -75.01 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.438 1.757 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.083 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.4 102.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' HG13 ' A' ' 14' ' ' VAL . 57.8 p -153.79 139.26 17.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.85 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -77.08 100.68 5.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.093 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.58 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -128.8 126.87 65.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 109.334 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.629 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.6 m -47.66 142.4 4.57 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.559 1.162 . . . . 0.0 110.419 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.79 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.42 179.06 1.17 Allowed Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.109 . . . . 0.0 108.311 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.748 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.96 -174.19 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.748 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.89 114.44 4.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.56 -56.75 0.42 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.48 1.112 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.642 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.5 mp0 -66.53 104.55 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.309 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.414 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.5 m-20 -84.52 6.3 24.17 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.387 1.054 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.56 -171.36 0.67 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -103.31 -169.93 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.596 1.185 . . . . 0.0 108.354 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.533 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.9 p90 -168.54 167.37 11.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.928 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.29 99.03 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.761 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.36 156.7 24.08 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.363 1.039 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -150.36 150.83 31.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.978 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -167.66 -101.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 107.979 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.655 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.28 119.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 108.317 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.529 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.4 t0 -48.63 177.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.14 -0.97 13.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.8 m-85 -118.53 -12.0 9.85 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.627 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 3.0 t 36.62 60.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 108.284 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.1 m -63.1 176.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 0.0 109.975 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.8 m -71.48 -4.36 26.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.045 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.806 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.1 mmm180 -74.76 4.61 6.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.59 -125.43 7.41 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.978 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -97.24 -168.51 1.71 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 0.807 . . . . 0.0 109.387 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.806 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -104.55 -162.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.187 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.131 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.78 77.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.686 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 2.8 mt-10 -92.02 68.98 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.965 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.95 -178.8 0.81 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.28 -147.56 15.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.412 1.07 . . . . 0.0 111.067 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.79 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.6 m -111.42 154.96 23.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.74 144.41 4.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.573 ' O ' HG23 ' A' ' 47' ' ' THR . . . -51.95 -48.03 64.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 46' ' ' ALA . 28.2 p -159.82 162.17 34.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.445 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.636 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.11 97.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.03 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.0 Cg_endo -75.05 -4.31 15.21 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.26 139.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.06 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.875 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.76 -114.26 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.875 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.97 -52.32 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.197 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.736 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.96 -106.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.504 1.791 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.883 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.09 -52.86 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 111.054 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.734 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.6 mt-10 -37.12 73.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.883 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -87.25 90.23 8.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.363 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.03 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.93 158.06 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -127.58 -144.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.636 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.4 m -153.68 171.97 18.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 108.235 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.16 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.82 114.8 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 15.5 p -110.24 -34.08 6.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.05 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.785 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.67 165.25 0.07 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.511 1.132 . . . . 0.0 110.481 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.7 103.53 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.0 mttm 65.29 51.36 1.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.16 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.88 27.31 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 108.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.994 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.15 9.98 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.994 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.93 69.3 5.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.173 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -38.74 158.28 0.1 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 109.524 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.622 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.04 104.57 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.439 1.757 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 1.173 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -159.36 -39.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.567 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 36.5 mt-30 -62.22 61.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.066 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -96.26 -55.31 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.592 1.183 . . . . 0.0 110.33 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 72' ' ' ARG . 18.6 Cg_endo -74.95 -28.91 8.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 110.96 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.453 ' C ' ' CG ' ' B' ' 9' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.6 1.188 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.704 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 3.7 t-160 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.689 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -176.49 167.01 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.944 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.17 48.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.806 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -58.06 -166.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.423 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.82 38.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 6' ' ' SER . . . . . 0.458 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 16.7 t -154.21 10.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.832 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 1.6 t 175.57 161.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.068 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 1.083 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -125.02 -24.59 4.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.593 1.183 . . . . 0.0 109.262 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' B' ' 11' ' ' TRP . 2.1 mm-40 -81.61 142.76 49.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.238 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.499 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -75.05 32.94 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.578 1.831 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.664 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -132.4 -36.02 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.78 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 15.3 m-30 -97.46 -32.29 0.26 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.78 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.96 -42.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.704 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.629 HD11 ' HA ' ' A' ' 22' ' ' LEU . 31.6 pt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.616 HG13 ' N ' ' A' ' 15' ' ' THR . 3.3 t -126.24 156.24 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.14 149.66 35.38 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.848 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 8.9 m80 -84.2 147.23 27.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -113.18 114.77 27.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.401 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.958 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.22 -17.46 15.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.69 -49.49 8.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.218 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.54 -103.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.189 . . . . 0.0 110.378 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.857 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.96 -161.4 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.857 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.98 -54.7 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.095 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.04 103.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.445 ' O ' HG13 ' A' ' 14' ' ' VAL . 56.3 p -154.57 138.64 16.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.92 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.848 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.21 100.03 4.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.394 1.059 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.555 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.38 127.43 69.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.616 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.0 m -46.96 142.58 3.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.456 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.776 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.63 178.53 1.28 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 108.328 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.742 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.95 -174.45 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.446 1.761 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.742 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.06 115.92 4.42 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.99 -56.3 0.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.127 . . . . 0.0 110.94 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.661 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 35.4 mp0 -66.22 105.2 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.302 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.426 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.4 m-20 -85.59 6.27 28.01 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.582 1.176 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.766 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -173.9 -171.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -103.29 -170.65 1.82 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 108.337 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.534 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.1 p90 -168.12 167.12 12.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.946 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.04 99.43 4.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.77 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.83 156.61 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.389 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.17 151.27 32.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.969 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.84 -101.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 107.979 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.653 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.51 120.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 108.293 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.541 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.5 t0 -49.05 177.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.03 -1.51 14.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 109.37 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.2 m-85 -117.65 -13.57 10.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.654 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 2.0 t 36.17 61.11 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.414 1.071 . . . . 0.0 108.206 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -67.63 175.92 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.925 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.405 ' C ' ' H ' ' A' ' 37' ' ' GLY . 15.1 m -67.53 -7.15 23.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.048 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.784 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.9 mmm180 -70.92 3.06 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 85.72 -127.32 8.21 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.969 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -96.69 -169.01 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 109.277 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.8 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.44 -163.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.125 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.05 77.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.681 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -92.28 69.09 5.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.952 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.71 -177.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.06 -147.06 14.4 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.435 1.084 . . . . 0.0 111.07 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.776 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.0 m -112.32 155.6 23.84 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.12 145.45 4.18 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.393 1.058 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.605 ' O ' HG23 ' A' ' 47' ' ' THR . . . -53.14 -47.05 69.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 46' ' ' ALA . 27.3 p -160.57 162.01 32.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.1 97.69 0.12 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 108.309 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.029 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.08 -4.56 15.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.561 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.04 139.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.047 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.835 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.05 -114.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.835 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -155.91 -52.66 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.739 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -74.87 -106.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.472 1.775 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.895 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.94 -53.29 5.95 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.551 1.157 . . . . 0.0 111.093 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.746 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.1 mt-10 -36.2 72.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 110.275 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.895 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -86.72 90.83 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.029 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.57 157.86 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -127.44 -146.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.419 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.0 m -152.8 171.53 18.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 108.273 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.177 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.99 115.29 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.092 . . . . 0.0 108.345 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.459 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 24.4 p -110.22 -34.6 6.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.782 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.05 165.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.436 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.11 103.58 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.485 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 32.9 mttt 65.53 51.02 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.4 1.063 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.177 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.61 27.31 5.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.994 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.1 9.91 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.994 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.98 69.09 5.62 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.399 1.736 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.16 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.7 p80 -38.49 158.16 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.586 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.633 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -75.04 104.24 1.87 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.587 1.835 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 1.16 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -160.2 -38.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.375 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.585 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 36.3 mt-30 -62.5 61.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.404 1.065 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 70' ' ' LYS . 2.1 ttt180 -96.33 -55.64 0.21 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.204 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.505 ' HD3' ' CB ' ' A' ' 72' ' ' ARG . 18.3 Cg_endo -74.89 150.72 39.17 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.779 . . . . 0.0 111.087 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.539 ' N ' ' C ' ' B' ' 14' ' ' ASP . 27.8 m80 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.686 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER 178.23 165.72 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.958 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -115.55 49.56 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.784 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.1 m-85 -58.4 -164.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.5 OUTLIER -107.53 38.8 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.261 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 6' ' ' SER . . . . . 0.438 ' HB3' ' NE ' ' A' ' 36' ' ' ARG . 17.7 t -153.4 4.3 0.31 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.775 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 1.4 t -177.45 162.61 1.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.956 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 1.095 HD21 ' CD1' ' A' ' 11' ' ' ILE . 2.0 tm? -126.87 -23.13 3.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.483 ' C ' ' H ' ' B' ' 11' ' ' TRP . 4.1 mm-40 -83.12 142.91 44.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.412 1.07 . . . . 0.0 110.252 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.512 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -75.05 37.5 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.696 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -136.72 -36.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.792 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.3 m-85 -97.8 -30.57 0.25 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.792 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.6 Cg_endo -74.84 -43.36 0.43 Allowed 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.481 1.78 . . . . 0.0 111.06 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.539 ' C ' ' N ' ' B' ' 1' ' ' HIS . 1.3 t0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 22' ' ' LEU . 22.2 pt . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.597 HG13 ' N ' ' A' ' 15' ' ' THR . 2.7 t -123.03 157.03 28.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.87 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.66 149.99 35.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.25 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.854 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.2 m80 -85.11 146.47 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.521 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -111.76 114.66 27.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.961 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.36 -16.57 15.59 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.457 1.098 . . . . 0.0 110.428 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.586 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -85.54 -49.23 8.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.396 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.93 -104.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.444 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.861 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.2 -161.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.861 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.94 -54.73 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.437 1.756 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.121 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.9 102.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.434 ' O ' HG13 ' A' ' 14' ' ' VAL . 51.9 p -153.74 138.71 17.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.854 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.39 97.66 4.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.499 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -124.76 129.13 73.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.597 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.8 m -48.13 143.17 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.746 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.0 178.3 1.31 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.317 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.722 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.04 -175.17 2.23 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.569 1.826 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.722 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.01 115.43 4.28 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.544 1.813 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.89 -55.53 0.44 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.619 1.199 . . . . 0.0 111.067 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.654 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 47.7 mp0 -67.4 104.91 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.416 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.1 m-20 -85.09 5.79 28.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.766 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.09 -170.77 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.87 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.98 -170.83 1.83 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.123 . . . . 0.0 108.333 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.522 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 17.9 p90 -167.62 167.68 13.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.915 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.93 99.2 3.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.778 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.41 156.14 24.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.376 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.92 149.78 30.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.067 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.967 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.43 -101.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.625 1.203 . . . . 0.0 108.012 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.683 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.61 117.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 108.325 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.507 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 47.6 t0 -47.92 176.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.507 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -70.79 -1.19 10.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.4 m-85 -119.16 -11.49 9.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.62 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 3.6 t 36.93 59.87 1.02 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.6 m -58.21 175.3 0.23 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -73.06 -2.83 22.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.765 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.2 mmp_? -77.79 5.44 9.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.43 -124.73 7.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.098 . . . . 0.0 111.039 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.967 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.3 OUTLIER -97.1 -168.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.596 0.821 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.793 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.98 -162.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.185 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.116 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.59 75.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.659 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.7 mt-10 -90.14 68.54 7.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.953 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.65 -178.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.21 -147.22 14.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.42 1.075 . . . . 0.0 111.088 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.746 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.8 m -111.87 155.2 24.02 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.8 144.96 4.3 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.525 1.141 . . . . 0.0 109.212 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.92 -47.22 68.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 46' ' ' ALA . 22.6 p -160.41 161.49 33.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.628 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.74 97.81 0.12 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 108.311 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.02 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.0 Cg_endo -75.02 -3.92 14.64 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.646 1.866 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.36 139.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.858 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.27 -114.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.387 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.858 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 2.3 mptt -156.75 -52.37 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.734 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.04 -106.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.875 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.54 -53.24 5.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.735 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.8 mt-10 -36.31 73.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.875 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -87.28 91.04 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.02 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.67 158.23 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.511 HG22 ' H ' ' A' ' 59' ' ' CYS . 2.8 m -127.55 -146.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.628 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.8 m -152.12 171.45 17.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 108.212 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.07 114.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.351 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.491 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 22.9 p -109.95 -34.29 6.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.955 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.78 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.68 165.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.435 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.9 103.53 2.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 18.9 mttm 65.23 51.84 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -100.34 27.16 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 108.312 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 1.023 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.59 9.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.023 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -75.01 69.28 5.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.405 1.74 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.119 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.6 p80 -37.92 158.13 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.609 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.659 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.04 104.32 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 1.119 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.53 -38.19 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.576 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 34.5 mt-30 -61.16 59.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.658 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -92.21 -50.44 0.3 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 110.234 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.691 ' CB ' ' CE2' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.9 -162.43 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.546 1.814 . . . . 0.0 111.01 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.04 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.582 ' H2 ' ' HB3' ' B' ' 14' ' ' ASP . 15.3 m80 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.704 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -163.4 168.17 20.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.221 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.961 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.92 48.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 110.99 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.765 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.0 m-85 -59.42 -165.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.509 ' CG ' ' O ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.36 40.84 1.53 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 6' ' ' SER . . . . . 0.41 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 7.7 t -148.8 -7.72 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.069 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.595 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 19.1 t -170.9 167.42 7.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 110.051 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 1.121 HD21 ' CD1' ' A' ' 11' ' ' ILE . 2.0 tm? -127.13 -22.33 3.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.231 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' B' ' 11' ' ' TRP . 4.0 mm-40 -80.53 144.97 57.9 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.512 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.08 22.62 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.798 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.615 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 5.0 t-105 -124.49 -38.21 2.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.733 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 28.9 m-85 -90.37 -35.78 0.39 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 111.066 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.733 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.1 Cg_endo -75.04 -39.64 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.571 1.827 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.582 ' HB3' ' H2 ' ' B' ' 1' ' ' HIS . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' A' ' 22' ' ' LEU . 25.4 pt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.598 HG13 ' N ' ' A' ' 15' ' ' THR . 2.7 t -123.24 156.09 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.892 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.0 149.98 36.08 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.55 1.156 . . . . 0.0 108.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.843 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.1 m80 -84.6 145.6 27.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.609 1.193 . . . . 0.0 109.621 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -112.19 114.8 27.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.605 1.191 . . . . 0.0 110.361 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.865 HG23 ' CG1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -101.57 -22.68 14.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.367 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -79.42 -51.0 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -105.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.858 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -62.48 -161.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.053 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.858 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.1 Cg_endo -74.99 -55.25 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.404 1.739 . . . . 0.0 111.035 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.951 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.1 OUTLIER 165.94 100.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.377 1.048 . . . . 0.0 109.365 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.434 ' O ' HG13 ' A' ' 14' ' ' VAL . 53.7 p -152.01 139.84 19.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.843 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.33 97.69 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.5 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -124.91 128.77 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.386 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.598 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.1 m -47.53 143.24 3.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 110.363 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.758 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.21 178.32 1.29 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.713 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.6 Cg_endo -74.97 -175.34 2.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.713 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.05 116.38 4.56 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.494 1.786 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.76 -55.43 0.46 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.655 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 43.0 mp0 -67.06 105.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 110.264 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.416 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.2 m-20 -85.92 6.38 28.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.37 1.044 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.95 -171.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.191 . . . . 0.0 109.295 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.892 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.43 -171.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.354 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.541 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.6 p90 -167.37 167.43 13.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.967 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.902 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -136.33 99.06 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.777 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.4 155.76 24.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.6 mtt -149.72 149.37 30.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 111.07 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.964 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.38 -101.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.17 119.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.399 1.062 . . . . 0.0 108.301 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.523 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 40.2 t0 -47.71 177.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.84 -0.38 13.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.2 m-85 -120.82 -10.39 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.587 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 4.6 t 37.5 61.34 1.0 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.474 1.109 . . . . 0.0 108.252 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.1 m -59.85 174.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 109.924 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.2 m -72.67 -3.27 23.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.051 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.77 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 2.0 mmp_? -77.22 4.75 9.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.84 -124.15 7.0 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.601 1.188 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.964 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -97.25 -168.92 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.802 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -104.48 -161.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.61 1.194 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.16 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.98 76.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.677 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.5 mt-10 -91.11 68.66 6.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.963 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.54 -176.93 0.51 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.36 -146.92 14.4 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.512 1.133 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.758 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.8 m -112.41 156.13 23.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.436 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.65 144.6 3.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.594 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.27 -47.4 65.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.234 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 46' ' ' ALA . 28.3 p -160.3 162.04 33.46 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.412 1.07 . . . . 0.0 110.435 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.14 97.63 0.12 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 108.328 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.038 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.06 -4.66 15.72 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.21 139.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.409 1.068 . . . . 0.0 109.991 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.855 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.76 -114.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.855 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.15 -52.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.741 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.96 -107.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.882 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -82.39 -52.54 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.731 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.5 mt-10 -37.62 73.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.882 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -87.56 89.55 8.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.246 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.038 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.04 157.74 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.423 1.077 . . . . 0.0 109.392 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -127.34 -146.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 13.4 m -152.5 172.01 17.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 108.277 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.91 115.37 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 108.252 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.499 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 19.6 p -110.47 -34.74 6.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 110.038 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.23 164.9 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.33 104.02 2.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.08 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.487 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 35.4 mttt 64.86 50.96 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.253 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.33 27.39 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 108.291 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.991 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.37 10.77 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.991 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -75.06 69.83 5.5 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.406 1.74 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.16 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.3 p80 -37.36 156.15 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.574 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.7 ' C ' ' HD3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.0 103.27 1.7 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 1.086 ' CD ' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -163.76 -38.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.18 . . . . 0.0 109.355 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.582 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 31.0 mt-30 -56.41 78.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.192 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.575 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -159.27 130.06 3.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 97.21 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.876 ' H3 ' ' CB ' ' B' ' 14' ' ' ASP . 13.1 t-80 . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.697 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -164.63 175.43 9.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.847 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -117.73 40.36 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.77 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -56.9 175.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.508 ' CG ' ' O ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -90.6 41.63 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 6' ' ' SER . . . . . 0.459 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 23.2 t -145.27 -15.74 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.97 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.628 ' OG ' ' HB2' ' B' ' 12' ' ' TYR . 11.5 t -164.98 171.65 13.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.091 . . . . 0.0 110.085 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.951 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.5 tm? -130.75 -19.85 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.483 ' C ' ' H ' ' B' ' 11' ' ' TRP . 3.5 mm-40 -84.9 144.39 41.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.519 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.5 Cg_endo -74.95 37.57 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.399 1.736 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.688 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 10.0 t-105 -134.95 -40.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 107.958 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.778 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 10.9 m-30 -94.69 -32.01 0.28 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.778 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -75.0 -39.64 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.876 ' CB ' ' H3 ' ' B' ' 1' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.651 HD11 ' HA ' ' A' ' 22' ' ' LEU . 34.2 pt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.647 HG13 ' N ' ' A' ' 15' ' ' THR . 3.5 t -128.24 156.67 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.997 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.87 150.65 36.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 108.324 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.842 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 8.9 m80 -85.08 146.17 27.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.583 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -112.2 114.34 27.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 110.322 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.966 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -102.8 -17.83 15.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.447 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.22 -49.38 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.61 -103.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 110.357 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.72 -161.49 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.99 -54.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.419 1.747 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.098 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.17 103.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.416 ' O ' HG13 ' A' ' 14' ' ' VAL . 48.7 p -154.33 139.22 17.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.471 1.107 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.842 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.83 101.44 5.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.586 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -129.28 126.68 64.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.647 ' N ' HG13 ' A' ' 2' ' ' VAL . 9.1 m -48.01 142.19 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.786 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.07 178.69 1.29 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 108.255 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.772 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.4 Cg_endo -74.95 -173.2 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.772 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 17.9 Cg_endo -75.07 115.15 4.19 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.445 1.761 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.5 -55.72 0.44 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.518 1.136 . . . . 0.0 111.114 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.645 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 40.4 mp0 -67.39 104.47 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 110.356 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.424 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.1 m-20 -84.74 5.95 26.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.43 -170.48 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.997 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.92 -170.35 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 108.312 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.528 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.9 p90 -168.42 168.08 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.952 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.941 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -137.0 99.17 3.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.773 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.6 155.5 24.41 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.419 1.075 . . . . 0.0 109.432 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -148.94 152.13 35.83 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.598 1.186 . . . . 0.0 111.087 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.957 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.02 -101.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 107.973 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.659 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.75 120.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.557 ' OD1' ' NE ' ' B' ' 2' ' ' ARG . 41.3 t0 -48.63 177.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.23 -1.12 13.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.4 m-85 -118.11 -13.96 9.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.645 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 2.1 t 37.16 61.49 0.92 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 108.336 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.7 m -68.24 176.42 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.8 m -68.82 -6.45 26.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.951 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.762 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 7.1 mmm180 -71.55 2.93 4.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.73 -128.23 8.8 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.957 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -96.43 -168.49 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.734 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.795 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.77 -163.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.14 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.48 77.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.68 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.1 mt-10 -91.55 68.76 5.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.947 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.68 -178.68 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.02 -146.31 12.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.412 1.07 . . . . 0.0 111.081 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.786 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 4.7 m -112.54 155.84 23.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.46 144.44 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.0 -47.58 64.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.6 p -160.35 162.42 33.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.338 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.642 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.28 97.5 0.12 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 108.345 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.036 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -75.01 -4.58 15.61 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.54 1.811 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -24.95 139.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.581 1.176 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.858 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.64 -114.54 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.858 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.5 -52.43 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.738 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.1 Cg_endo -75.08 -106.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.416 1.745 . . . . 0.0 110.98 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.888 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.7 p90 -82.82 -53.05 6.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.739 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.6 mt-10 -36.52 73.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.888 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -87.04 90.42 8.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.036 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.6 t -98.21 157.6 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.528 HG22 ' H ' ' A' ' 59' ' ' CYS . 2.9 m -127.54 -148.15 0.37 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.405 1.066 . . . . 0.0 110.381 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.642 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.9 m -150.59 171.35 17.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 108.285 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.69 114.89 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 108.353 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.421 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 14.0 p -110.05 -35.48 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.887 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.781 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.28 166.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.414 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.52 103.52 2.99 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.596 1.185 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.478 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 20.6 mttm 65.41 51.18 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.95 27.91 5.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.15 . . . . 0.0 108.211 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.996 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.53 10.06 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.996 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -75.13 69.72 5.57 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.523 1.801 . . . . 0.0 111.041 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.14 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.7 p80 -37.96 157.55 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.516 1.135 . . . . 0.0 109.568 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.666 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -74.95 104.79 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 1.12 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.76 -43.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.536 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 35.4 mt-30 -55.5 84.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.479 1.112 . . . . 0.0 110.356 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.702 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . 2.0 ttp180 -146.2 -61.33 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.393 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -74.98 83.82 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 73' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.625 ' H2 ' ' C ' ' B' ' 14' ' ' ASP . 8.6 t60 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.696 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -168.38 166.94 12.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.966 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.48 49.16 1.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.94 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.762 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.5 m-85 -57.13 -165.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 1.0 OUTLIER -106.8 38.1 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 6' ' ' SER . . . . . 0.504 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 33.9 t -146.41 -7.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.979 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.628 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 13.5 t -169.61 170.03 8.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 1.098 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -129.66 -20.23 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.395 1.059 . . . . 0.0 109.213 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.503 ' C ' ' H ' ' B' ' 11' ' ' TRP . 1.2 mm-40 -84.7 142.77 39.9 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.543 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -75.06 32.4 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.448 1.762 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.627 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -129.96 -37.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 107.99 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 68.4 m-85 -96.14 -34.25 0.27 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 111.09 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -74.98 -42.59 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.625 ' C ' ' H2 ' ' B' ' 1' ' ' HIS . 4.5 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.634 HD11 ' HA ' ' A' ' 22' ' ' LEU . 28.5 pt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.642 HG13 ' N ' ' A' ' 15' ' ' THR . 3.2 t -126.87 154.63 37.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 109.364 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -143.78 149.85 37.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 108.266 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.857 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.1 m80 -85.04 146.57 27.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.577 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -112.4 115.08 28.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.426 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.966 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.48 -17.69 15.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.408 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.598 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.5 -50.21 7.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.58 -103.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.859 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -64.08 -161.24 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.911 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.859 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.99 -55.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.424 1.749 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.105 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.55 102.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.235 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.414 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.4 p -153.35 138.62 17.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.857 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.93 101.05 5.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.571 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -129.38 126.43 63.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.168 . . . . 0.0 109.199 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.642 ' N ' HG13 ' A' ' 2' ' ' VAL . 6.6 m -46.67 142.71 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.358 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.77 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.18 178.63 1.27 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 108.255 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.757 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -75.01 -173.8 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.563 1.823 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.757 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.98 116.13 4.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.18 -57.1 0.43 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.389 1.055 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.642 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 38.9 mp0 -66.77 105.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.419 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.8 m-20 -84.84 6.34 25.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.74 -171.01 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.47 -170.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.605 1.191 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.536 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.0 p90 -168.02 167.4 12.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.951 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.46 99.25 4.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.584 1.178 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.781 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.7 156.33 23.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.78 152.03 34.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.973 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.05 -101.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.109 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.644 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.16 120.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.311 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.552 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.8 t0 -49.53 178.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 109.198 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.56 -0.62 13.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.473 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.1 m-85 -119.61 -11.5 9.42 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.623 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 3.7 t 35.98 59.64 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 108.264 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -63.57 175.36 1.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 m -69.53 -5.05 21.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 109.931 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.807 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.1 mmm180 -73.45 3.09 6.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.91 -126.66 8.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.973 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -96.24 -169.29 1.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.767 . . . . 0.0 109.358 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.799 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.38 -163.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.131 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.06 76.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.209 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.682 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -91.79 69.87 5.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.603 1.189 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.951 HD23 ' HG2' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -67.65 -177.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.64 -146.86 13.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.77 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 6.1 m -112.39 154.25 26.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.74 145.11 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 47' ' ' THR . . . -53.01 -47.17 68.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 46' ' ' ALA . 24.1 p -160.23 162.37 33.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.96 97.63 0.13 Allowed Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.528 1.142 . . . . 0.0 108.243 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.042 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.96 -4.56 15.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.556 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -25.12 139.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.063 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.853 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.91 -114.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.853 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.52 -52.38 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.735 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.07 -106.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.896 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.23 -53.13 6.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.721 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.1 mt-10 -37.08 72.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.142 . . . . 0.0 110.344 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.896 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -87.11 89.93 8.17 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.574 1.171 . . . . 0.0 110.221 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.042 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.51 158.27 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.65 -146.03 0.32 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 10.9 m -152.8 171.91 17.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 108.336 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.15 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.89 116.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 108.28 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.414 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 18.5 p -111.23 -34.92 6.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.049 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.786 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.78 166.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.69 103.24 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.478 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 17.0 mttm 65.83 51.15 1.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.15 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -99.9 26.97 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.244 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 1.022 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.72 9.15 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.022 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -75.01 69.51 5.54 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.546 1.814 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.131 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.8 p80 -37.89 158.13 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.605 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.663 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -75.03 104.63 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.426 1.751 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 1.129 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.19 -40.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.556 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 34.8 mt-30 -60.99 66.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.656 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -115.71 -60.8 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.272 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.2 Cg_endo -74.98 107.79 2.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.579 ' C ' ' CE2' ' B' ' 12' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.73 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 6.4 t-80 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.686 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -166.93 167.43 14.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.966 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.19 49.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.807 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -58.02 -165.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.2 OUTLIER -107.1 39.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 6' ' ' SER . . . . . 0.499 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 12.2 t -149.33 -4.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.617 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 10.7 t -171.37 166.53 6.99 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.427 1.08 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 1.105 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -127.6 -20.79 3.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.0 mm-40 -83.28 143.4 44.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.478 ' CB ' ' HA ' ' B' ' 1' ' ' HIS . 18.0 Cg_endo -75.11 26.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.571 1.827 . . . . 0.0 110.987 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.611 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -126.96 -35.2 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 108.002 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.747 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 48.6 m-85 -95.93 -34.93 0.27 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.747 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.6 Cg_endo -74.93 -38.02 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.808 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.73 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 2.4 t0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.569 HD11 ' HA ' ' A' ' 22' ' ' LEU . 27.4 pt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' ' 15' ' ' THR . 2.7 t -123.87 154.5 30.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -143.54 149.71 37.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 108.284 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.851 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 8.6 m80 -84.96 145.0 27.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.604 1.19 . . . . 0.0 109.568 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -110.84 115.35 29.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.969 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.52 -17.65 15.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.601 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.57 -49.98 8.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 109.368 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.02 -103.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.852 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.45 -161.56 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.962 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.852 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.0 Cg_endo -75.08 -54.68 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.466 1.772 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.114 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.87 103.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.454 ' O ' HG13 ' A' ' 14' ' ' VAL . 53.6 p -155.03 138.46 15.88 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.851 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -75.72 97.59 3.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.51 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -124.15 129.2 74.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 109.198 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.585 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.4 m -48.38 143.14 5.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.751 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.33 177.85 1.42 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.074 . . . . 0.0 108.25 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.728 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -74.98 -174.8 2.06 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.475 1.776 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.728 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -74.99 116.69 4.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.57 -56.35 0.45 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.67 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 11.0 mp0 -66.14 104.86 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.43 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.5 m-20 -85.11 5.68 28.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.632 1.207 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.38 -170.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.373 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -103.94 -171.13 1.88 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.538 1.149 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.546 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.4 p90 -167.3 167.79 13.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.568 1.168 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.942 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.74 99.09 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 110.312 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.783 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.26 156.24 24.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.482 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -149.87 151.51 33.58 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.967 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -168.39 -100.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 108.013 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.26 118.8 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 108.317 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.547 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.2 t0 -48.47 177.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.02 -0.68 12.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.485 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.9 m-85 -120.61 -9.71 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.611 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 3.1 t 35.08 61.42 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 108.398 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.5 m -61.18 175.74 0.51 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 m -72.46 -2.53 19.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.993 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.794 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 1.4 mmp_? -77.43 5.52 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 110.206 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.15 -124.56 7.08 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.488 1.118 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.967 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -97.91 -169.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.368 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.806 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -103.49 -163.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.12 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.06 76.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.678 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -91.22 69.21 6.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.223 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.96 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.87 -178.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 3' ' ' CYS . . . 159.1 -146.61 13.25 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 5.8 m -112.38 155.42 24.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.462 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.14 145.27 4.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.607 ' O ' HG23 ' A' ' 47' ' ' THR . . . -53.7 -46.6 70.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 46' ' ' ALA . 25.5 p -160.39 162.03 33.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.52 97.76 0.13 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.032 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -75.02 -4.38 15.31 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.558 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.26 139.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.59 1.181 . . . . 0.0 109.994 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.859 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.84 -114.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.415 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.859 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 1.7 mptt -156.75 -52.52 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.085 . . . . 0.0 109.356 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.732 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.97 -106.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.884 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.65 -52.68 6.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.581 1.175 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.733 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.7 mt-10 -37.41 73.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.884 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -87.49 90.36 8.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.032 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.6 t -97.83 157.94 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.5 m -127.12 -145.55 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.6 m -153.27 171.87 17.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.85 114.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 108.304 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.477 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 21.2 p -109.66 -33.56 6.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.779 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -50.32 166.41 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.57 104.15 3.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.471 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 36.4 mttt 64.48 51.59 1.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -100.09 27.0 5.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 1.02 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.85 9.05 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.236 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.02 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.7 Cg_endo -74.97 68.86 5.66 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.131 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.6 p80 -37.6 158.04 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 109.563 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.634 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.01 104.17 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.081 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 1.131 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.87 -38.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.568 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 34.9 mt-30 -61.76 61.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.636 ' N ' ' O ' ' A' ' 70' ' ' LYS . 7.7 ttt180 -102.49 -57.25 0.1 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.603 ' HB2' ' CD2' ' B' ' 12' ' ' TYR . 18.5 Cg_endo -74.99 53.08 3.22 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.48 1.779 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.96 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.536 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 39.4 t60 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.71 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -175.74 166.64 3.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.969 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.47 49.08 1.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.794 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.0 m-85 -58.87 -164.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.497 ' CG ' ' O ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -107.74 41.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.9 -1.63 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.014 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.669 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 5.2 t -173.9 164.44 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 1.114 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -127.01 -21.49 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.497 ' C ' ' H ' ' B' ' 11' ' ' TRP . 2.9 mm-40 -83.11 143.41 45.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.393 1.058 . . . . 0.0 110.349 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.528 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -75.01 34.35 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.68 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -134.02 -37.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.774 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 71.5 m-85 -95.29 -32.12 0.27 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.774 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.6 Cg_endo -74.98 -41.15 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.536 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.625 HD11 ' HA ' ' A' ' 22' ' ' LEU . 27.9 pt . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.608 HG13 ' N ' ' A' ' 15' ' ' THR . 3.4 t -124.12 157.47 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.914 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.9 m -145.81 149.97 35.33 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 0.0 108.316 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.849 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 8.9 m80 -84.82 146.93 27.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 0.0 109.635 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -113.77 115.15 27.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.419 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.943 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.69 -23.11 14.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.07 . . . . 0.0 110.455 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -79.01 -51.18 9.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.1 -104.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.458 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -63.91 -161.24 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 110.076 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -75.05 -54.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.954 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.58 101.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.353 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.425 ' O ' HG13 ' A' ' 14' ' ' VAL . 62.5 p -152.69 140.23 19.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.849 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.8 99.61 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.554 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.1 127.73 71.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.608 ' N ' HG13 ' A' ' 2' ' ' VAL . 8.3 m -48.47 142.29 5.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.396 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.761 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -99.0 178.55 1.26 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 108.285 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.738 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.91 -174.47 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.523 1.801 . . . . 0.0 111.067 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.738 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.04 115.53 4.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.954 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.08 -56.93 0.43 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.629 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.8 mp0 -66.4 104.61 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.605 0.826 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.5 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.8 m-20 -85.13 9.21 15.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.023 HD11 ' SG ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -175.99 -168.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.914 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -106.86 -171.05 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 108.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.534 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.4 p90 -166.14 167.68 16.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.881 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -137.12 99.46 4.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.372 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.765 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -83.12 155.53 23.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.6 mtt -149.83 148.61 29.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.965 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -165.51 -101.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.56 121.53 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 108.342 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.556 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 42.9 t0 -48.76 178.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.372 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.73 -0.44 13.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.242 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.8 m-85 -117.94 -16.13 9.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.644 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 2.0 t 37.3 61.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.317 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.0 m -73.41 176.96 5.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 37' ' ' GLY . 8.6 m -63.88 -10.04 18.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.788 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 8.0 mmm180 -67.31 -0.1 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 85.36 -129.3 9.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.965 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -95.16 -168.48 1.81 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.791 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -106.28 -161.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.166 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -154.21 77.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.689 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.4 mt-10 -92.51 68.36 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.984 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -65.95 -175.97 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.383 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.485 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.09 -148.55 18.42 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.761 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 8.0 m -109.93 154.95 22.38 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.69 143.29 2.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.592 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -51.26 -46.54 62.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.592 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 43.2 p -159.85 161.41 34.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.857 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.9 OUTLIER -37.89 99.36 0.18 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.291 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.031 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.02 0.68 8.62 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.578 1.831 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -27.02 140.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.951 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.863 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -95.5 -113.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.409 1.068 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.863 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -156.54 -52.75 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.37 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.722 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -75.01 -106.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.527 1.804 . . . . 0.0 111.069 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.902 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.17 -52.52 6.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.693 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.0 mt-10 -38.07 72.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.902 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -87.11 88.6 7.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.031 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.13 158.49 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.464 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 1.1 m -131.89 -155.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 1.023 ' SG ' HD11 ' A' ' 22' ' ' LEU . 1.2 m -140.47 176.64 8.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 108.246 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.197 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 177.06 112.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.278 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.487 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 9.3 p -108.11 -35.89 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.079 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.752 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.03 160.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.5 104.11 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.489 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 32.5 mttt 64.22 51.91 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.36 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.197 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.7 p -99.23 27.01 5.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 108.293 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.996 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.17 10.86 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.216 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.996 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -74.9 69.08 5.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.416 1.745 . . . . 0.0 111.036 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.166 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.4 p80 -37.75 157.16 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.644 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.633 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -74.96 103.25 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.434 1.755 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 1.133 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.68 -39.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.579 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 31.2 mt-30 -57.67 75.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.589 ' N ' ' O ' ' A' ' 70' ' ' LYS . 18.8 ttt85 -162.2 140.17 6.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.5 Cg_endo -74.98 105.87 2.17 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.608 1.846 . . . . 0.0 111.038 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.682 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.653 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -158.56 171.6 19.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.943 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -117.77 40.81 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 111.12 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.788 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.4 m-85 -52.45 -175.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 7.7 pt-20 -99.49 34.78 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' SER . . . . . 0.503 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 19.3 t -144.43 2.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.922 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.726 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 22.3 t -179.0 166.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.954 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.1 tm? -126.6 -27.34 3.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 11' ' ' TRP . 0.7 OUTLIER -77.74 144.53 69.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 110.286 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.572 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -74.99 29.04 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.422 1.749 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.628 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 2.5 t90 -128.5 -37.85 1.77 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.75 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 4.0 m-30 -94.53 -34.64 0.29 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.75 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.7 Cg_endo -74.88 -41.81 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.682 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' A' ' 22' ' ' LEU . 26.9 pt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.656 HG13 ' N ' ' A' ' 15' ' ' THR . 2.8 t -122.27 152.13 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.06 149.21 36.26 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.57 1.169 . . . . 0.0 108.395 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.886 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 8.6 m80 -85.08 145.66 27.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.593 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -111.85 114.96 28.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.962 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.42 -17.67 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.414 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.611 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.54 -49.28 8.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.9 -104.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 110.446 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.849 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.16 -161.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.849 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -75.0 -54.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.13 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.77 102.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.2 p -152.75 138.91 18.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.886 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -78.28 103.37 8.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.218 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.612 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -130.95 127.3 61.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.656 ' N ' HG13 ' A' ' 2' ' ' VAL . 9.7 m -49.01 141.91 7.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.714 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.15 177.87 1.54 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 108.334 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.755 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.95 -173.43 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.755 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.5 Cg_endo -75.0 112.63 3.61 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 156.49 -57.37 0.38 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.664 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 3.6 mp0 -67.0 103.87 1.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.41 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.2 m-20 -83.47 7.43 16.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -175.81 -171.39 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.416 1.073 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -103.77 -169.52 1.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.281 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.544 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 17.4 p90 -168.17 167.15 12.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.06 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.935 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.41 99.07 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.774 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.37 156.53 24.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.03 151.67 33.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.977 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -168.24 -101.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 107.984 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.679 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -177.0 118.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 108.25 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 46.7 t0 -48.81 176.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.612 1.195 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.512 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -71.3 -1.16 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.7 m-85 -119.13 -10.38 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.624 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 3.2 t 34.83 60.36 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 108.366 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.6 m -59.57 175.69 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.6 m -72.52 -2.01 18.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.091 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.775 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.8 mmp_? -78.09 5.12 10.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.13 -124.34 6.98 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.557 1.16 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.977 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 1.7 mmtt -97.69 -168.67 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.79 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.8 t -104.24 -164.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.124 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -152.4 76.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.679 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -90.85 68.56 6.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.948 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.62 -178.44 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 109.397 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.52 -146.49 12.93 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.723 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 5.6 m -112.0 155.65 23.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.493 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.8 144.83 3.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 109.388 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 47' ' ' THR . . . -53.53 -46.87 70.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 46' ' ' ALA . 27.8 p -159.95 162.83 34.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.61 1.194 . . . . 0.0 110.405 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -35.29 97.98 0.14 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 108.275 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.041 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.05 -4.01 14.76 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.58 1.832 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.555 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.54 139.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.956 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.851 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.94 -114.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.851 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.26 -52.49 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.739 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.03 -106.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 111.062 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.903 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.5 -53.37 5.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.408 1.068 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.726 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.3 mt-10 -36.51 72.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.903 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -86.71 89.99 8.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.041 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.33 158.55 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -127.62 -144.98 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.6 m -153.66 172.0 17.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.325 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.77 115.07 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 108.255 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.2 p -110.31 -34.44 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.048 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.22 165.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.42 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.52 102.28 2.66 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HG2' ' CB ' ' A' ' 13' ' ' ALA . 37.7 mttt 67.37 51.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -100.38 26.79 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 108.281 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 1.01 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.48 8.58 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 1.01 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.6 Cg_endo -74.86 69.87 5.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.393 1.733 . . . . 0.0 110.965 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.124 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.9 p80 -38.53 158.01 0.1 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.634 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.68 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 17.9 Cg_endo -75.14 105.43 2.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 1.112 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.95 -40.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.568 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 32.1 mt-30 -56.92 77.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.255 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 70' ' ' LYS . 20.5 ttm-85 -166.02 138.71 3.3 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.153 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 107.06 2.4 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.054 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.956 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.767 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.718 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -173.89 168.95 4.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.216 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.962 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.93 48.55 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.637 1.211 . . . . 0.0 110.962 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.775 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.2 m-85 -59.66 -165.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 1.092 . . . . 0.0 110.983 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.504 ' CG ' ' O ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.51 41.37 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -149.16 -9.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.972 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.615 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 12.3 t -167.93 168.98 11.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 1.13 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -129.99 -16.16 3.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.49 ' C ' ' H ' ' B' ' 11' ' ' TRP . 55.4 mm-40 -88.09 144.21 34.13 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.527 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.3 Cg_endo -74.97 36.54 0.44 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.679 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.5 t90 -135.14 -38.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.001 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.768 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 7.8 m-30 -94.75 -32.36 0.28 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.768 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.99 -42.49 0.5 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.559 1.821 . . . . 0.0 110.967 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.767 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.626 HD11 ' HA ' ' A' ' 22' ' ' LEU . 30.4 pt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.603 HG13 ' N ' ' A' ' 15' ' ' THR . 3.5 t -124.1 156.68 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.192 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.878 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.07 150.41 36.79 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.45 1.094 . . . . 0.0 108.309 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.843 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.4 m80 -84.89 147.41 26.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.591 1.182 . . . . 0.0 109.56 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -114.46 114.64 26.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.475 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.938 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.03 -23.57 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.403 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.531 ' HB2' ' OE1' ' A' ' 41' ' ' GLU . . . -78.36 -51.37 10.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.48 -105.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.534 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.843 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -61.96 -161.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.843 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -75.11 -54.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.96 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.3 100.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 14' ' ' VAL . 57.0 p -153.44 140.86 19.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.021 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.843 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -77.01 100.89 5.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.558 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.7 127.68 70.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.603 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.9 m -48.18 142.4 5.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.739 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -99.76 178.33 1.3 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 108.329 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.738 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -75.01 -174.39 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.738 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.93 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.62 -57.25 0.43 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.594 1.184 . . . . 0.0 111.028 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.634 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.6 mp0 -65.86 104.46 1.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.535 0.785 . . . . 0.0 110.46 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.517 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.2 m-20 -85.28 9.65 14.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.019 HD11 ' SG ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -176.45 -167.39 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.878 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -107.62 -171.33 1.85 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.456 1.097 . . . . 0.0 108.342 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.549 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.2 p90 -165.78 168.52 15.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.874 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -137.87 99.24 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.175 . . . . 0.0 110.317 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.778 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -82.61 155.78 24.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.383 1.052 . . . . 0.0 109.349 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.489 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.7 mtt -149.95 149.5 30.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.961 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -166.28 -100.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 107.981 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.38 121.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 108.298 -179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.552 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 43.7 t0 -48.83 177.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.67 -1.77 17.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.7 m-85 -119.1 -11.42 9.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.614 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 3.1 t 36.7 61.32 0.86 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 108.295 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.4 m -65.26 175.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.041 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.5 m -69.84 -5.39 25.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.811 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 4.7 mmm180 -73.31 3.58 5.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.66 -127.56 8.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.432 1.083 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.961 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -95.82 -167.93 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.796 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -105.21 -161.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.164 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -154.3 77.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.692 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.3 mt-10 -92.4 69.05 5.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.992 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.69 -175.75 0.42 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.05 -147.98 17.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.564 1.165 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.739 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 7.4 m -110.29 155.0 22.67 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -170.94 142.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.598 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -50.74 -46.34 59.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.598 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 41.9 p -160.06 161.02 33.82 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.84 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -37.52 99.26 0.18 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.167 . . . . 0.0 108.272 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.03 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -74.96 0.79 8.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -26.7 139.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.083 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.848 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.75 -114.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.848 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.15 -53.13 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.719 ' HD3' ' HB2' ' A' ' 52' ' ' LYS . 18.1 Cg_endo -75.04 -106.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.903 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.4 p90 -82.46 -52.49 6.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.699 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 19.2 mt-10 -38.31 72.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.903 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -87.35 88.8 7.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.03 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.89 159.08 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.499 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 1.4 m -132.06 -155.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.444 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 1.019 ' SG ' HD11 ' A' ' 22' ' ' LEU . 1.2 m -140.96 175.81 9.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 108.358 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.205 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 177.45 111.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.369 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 8.8 p -108.12 -35.22 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.082 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.754 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.97 160.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.433 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.83 104.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 30.3 mttt 63.99 52.22 2.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.217 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.205 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.8 p -99.73 27.61 5.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 0.0 108.32 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.995 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -110.08 10.92 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.995 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.1 Cg_endo -74.96 69.41 5.53 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.53 1.805 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.164 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.6 p80 -38.93 157.82 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.638 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.614 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.99 103.73 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 1.16 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -159.87 -39.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.593 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 31.7 mt-30 -58.33 75.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.579 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -157.59 132.57 5.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 110.29 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 95.49 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.445 1.761 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 110.957 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.767 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 6.5 m-70 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.665 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -171.3 171.87 5.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.631 1.207 . . . . 0.0 110.344 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.938 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -118.87 42.09 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 111.064 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.811 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.2 m-85 -54.23 -171.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -102.7 38.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 6' ' ' SER . . . . . 0.481 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 29.0 t -154.18 13.6 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.841 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 13.2 t 171.77 159.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.928 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.96 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.2 tm? -123.55 -27.17 4.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.509 ' C ' ' H ' ' B' ' 11' ' ' TRP . 0.4 OUTLIER -75.73 145.63 78.69 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.498 ' CB ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.05 23.7 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.503 1.791 . . . . 0.0 110.986 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.635 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -126.12 -36.99 2.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.75 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.7 m-30 -92.47 -34.51 0.34 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 111.05 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.75 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -74.96 -40.63 0.85 Allowed 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 124.526 1.803 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.767 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.634 HD11 ' HA ' ' A' ' 22' ' ' LEU . 29.3 pt . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.625 HG13 ' N ' ' A' ' 15' ' ' THR . 3.1 t -126.97 155.66 37.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.902 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.17 149.27 34.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 108.26 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.849 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 8.5 m80 -84.18 146.22 27.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.632 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -112.31 115.63 29.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.952 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.83 -17.77 14.92 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.126 . . . . 0.0 110.356 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.595 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.47 -49.6 8.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.31 -103.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.855 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.98 -161.52 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.921 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.855 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.5 Cg_endo -74.83 -54.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.59 1.837 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.085 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.08 103.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.2 p -154.37 139.29 17.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.849 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -76.78 99.96 5.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.374 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.559 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.86 127.28 67.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.625 ' N ' HG13 ' A' ' 2' ' ' VAL . 6.7 m -47.5 142.75 4.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.778 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.4 178.68 1.25 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 108.26 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.752 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.6 Cg_endo -74.89 -174.09 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.424 1.75 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.752 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.05 114.98 4.15 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.455 1.766 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.13 -56.36 0.43 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.572 1.17 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.673 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 40.5 mp0 -66.97 104.6 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 0.73 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.418 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.4 m-20 -84.49 5.38 27.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -172.85 -170.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.226 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.902 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.2 -170.21 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 108.263 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.54 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.0 p90 -168.54 167.21 11.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.947 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.23 99.52 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.771 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.89 156.51 23.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.87 152.28 34.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.973 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.39 -101.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 107.996 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.641 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.71 120.21 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 108.334 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.546 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 43.2 t0 -49.14 178.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.31 -1.13 14.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.1 m-85 -118.11 -13.5 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.659 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 1.9 t 36.26 60.58 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 108.352 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.2 m -67.45 175.89 2.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 37' ' ' GLY . 15.1 m -67.44 -6.68 20.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.787 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 6.1 mmm180 -71.34 3.73 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 85.03 -126.16 7.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.973 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -97.72 -168.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.803 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -104.95 -162.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.132 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.44 76.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.682 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -91.46 69.56 5.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.272 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.96 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -67.18 -177.82 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.43 -147.29 14.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.778 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.4 m -111.96 154.08 25.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -166.4 145.31 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.379 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 47' ' ' THR . . . -53.2 -47.24 69.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 46' ' ' ALA . 27.1 p -160.47 161.47 32.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.83 97.54 0.12 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 108.291 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.035 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.6 Cg_endo -74.97 -4.64 15.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.564 1.823 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.02 138.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.989 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.866 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.35 -114.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.866 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -156.75 -52.39 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.734 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.96 -106.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.395 1.734 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.887 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.07 -53.1 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.731 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -37.0 73.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.887 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -87.11 90.41 8.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.248 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.035 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.01 158.34 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.95 -146.32 0.32 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.516 1.135 . . . . 0.0 110.477 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.3 m -152.56 171.84 17.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.323 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.94 115.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 108.33 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.415 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 9.8 p -110.21 -34.28 6.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.982 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.78 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.27 166.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.395 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.15 102.46 3.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.48 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 31.9 mttt 66.88 51.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.208 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -99.82 27.51 5.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 108.33 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.996 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.28 9.8 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.996 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -74.9 68.67 5.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.156 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -38.09 157.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.616 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.96 104.36 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.376 1.724 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 1.156 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -159.67 -38.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.592 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 34.7 mt-30 -62.31 59.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.639 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -98.14 -49.48 0.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.6 Cg_endo -74.93 159.61 41.36 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.557 1.819 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.537 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 2.2 t60 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.693 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER 177.11 165.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.952 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -115.32 50.01 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.787 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.1 m-85 -59.1 -164.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.6 OUTLIER -107.12 38.18 2.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.616 1.197 . . . . 0.0 110.283 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 6' ' ' SER . . . . . 0.426 ' HB3' ' NE ' ' A' ' 36' ' ' ARG . 32.8 t -153.05 6.09 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 110.028 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.793 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 1.3 t -179.21 162.13 1.17 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.108 . . . . 0.0 109.975 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 1.085 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -126.34 -23.71 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' B' ' 11' ' ' TRP . 2.2 mm-40 -83.08 143.21 45.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.493 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -74.97 36.99 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.433 1.754 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.697 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -136.46 -37.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 107.984 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.785 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.5 m-85 -96.93 -30.67 0.26 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.785 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -74.93 -43.99 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.545 1.813 . . . . 0.0 111.044 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.537 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.348 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.627 HD11 ' HA ' ' A' ' 22' ' ' LEU . 25.8 pt . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.625 HG13 ' N ' ' A' ' 15' ' ' THR . 2.5 t -124.08 153.99 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.79 149.74 35.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 0.0 108.271 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.842 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.4 m80 -84.33 145.68 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 109.607 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -113.09 114.75 27.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.405 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.879 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.23 -24.43 14.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.572 1.17 . . . . 0.0 110.484 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.528 ' HB2' ' OE1' ' A' ' 41' ' ' GLU . . . -77.5 -50.66 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.95 -104.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.399 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.14 -161.27 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.582 1.176 . . . . 0.0 110.036 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.97 -55.13 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.421 1.748 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.911 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.1 OUTLIER 165.9 100.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.27 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.409 ' O ' HG13 ' A' ' 14' ' ' VAL . 55.6 p -151.26 139.99 20.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.969 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.842 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -77.25 100.08 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.517 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.5 128.3 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.625 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.3 m -47.37 143.27 3.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 0.0 110.461 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.757 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.0 177.61 1.5 Allowed Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.537 1.148 . . . . 0.0 108.303 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.731 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.98 -174.54 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.731 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 17.9 Cg_endo -75.1 116.11 4.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.536 1.809 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 152.75 -57.09 0.43 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.64 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 37.6 mp0 -67.17 105.65 1.77 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 0.773 . . . . 0.0 110.277 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.411 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.4 m-20 -85.19 6.01 27.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.766 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.22 -170.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -104.04 -170.52 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.532 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.7 p90 -167.56 167.84 13.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.386 1.054 . . . . 0.0 111.068 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.871 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.79 98.65 3.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.253 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.769 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.36 155.44 24.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.439 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.7 mtt -149.75 149.27 30.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.95 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -165.58 -101.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.78 119.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 108.224 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 44.7 t0 -48.26 175.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.506 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -70.58 -2.28 13.72 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.422 1.076 . . . . 0.0 109.218 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' CYS . 4.5 m-85 -117.9 -12.73 10.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.624 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 3.3 t 38.4 60.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.6 m -59.17 175.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.8 m -74.26 -0.86 18.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.752 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 2.3 mmp_? -79.2 5.69 11.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.347 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.79 -125.93 7.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 111.059 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.95 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.7 OUTLIER -97.13 -168.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.79 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.79 -161.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.17 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.75 77.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.684 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.2 mt-10 -92.08 67.85 5.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.585 1.178 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.967 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.1 -176.92 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.27 -147.43 15.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.757 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 6.6 m -111.97 154.79 24.75 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.35 144.16 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.18 -46.91 65.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 46' ' ' ALA . 27.4 p -160.38 163.15 33.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.421 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -35.72 97.85 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 108.301 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.055 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -4.58 15.62 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.328 1.699 . . . . 0.0 110.951 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.561 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -24.98 139.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 109.95 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.85 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.97 -114.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.6 1.187 . . . . 0.0 109.266 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.85 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 1.8 mptt -156.33 -52.44 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.737 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.95 -106.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.451 1.764 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.907 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.15 -52.45 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.734 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.0 mt-10 -37.4 72.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.232 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.907 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -86.65 90.36 8.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.055 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.84 158.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.55 -145.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.47 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 10.4 m -152.88 171.95 17.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 108.333 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.77 114.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.431 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 6.9 p -109.75 -35.18 6.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.783 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.68 165.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.544 1.152 . . . . 0.0 110.356 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.01 103.3 3.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 109.252 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 32.7 mttt 66.41 50.41 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.41 27.25 5.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 108.315 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.991 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.24 11.24 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.991 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.98 70.17 5.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.17 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.5 p80 -37.27 156.87 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.554 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.688 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 17.9 Cg_endo -75.01 103.15 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.513 1.797 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 1.082 ' CD ' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -163.31 -40.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.58 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 29.1 mt-30 -53.53 80.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.595 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -166.69 134.21 2.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.475 ' HA ' ' CE2' ' B' ' 12' ' ' TYR . 18.0 Cg_endo -75.02 116.69 4.66 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 0.0 111.052 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.649 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 11.5 t60 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.658 ' NH1' ' CE2' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -160.89 172.45 16.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.175 . . . . 0.0 110.254 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.879 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -117.57 41.38 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.752 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.1 m-85 -56.5 175.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.389 1.056 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.484 ' CG ' ' O ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -88.76 40.33 0.97 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 36.2 t -143.29 -12.22 0.72 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.606 1.191 . . . . 0.0 110.088 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.638 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 41.5 t -170.37 170.63 7.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.911 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.4 tm? -126.09 -26.36 3.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 11' ' ' TRP . 17.9 mm-40 -81.17 144.88 55.11 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 110.351 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.58 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -74.99 26.86 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.517 1.799 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.592 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.2 OUTLIER -125.38 -37.54 2.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 108.064 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.736 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 6.5 m-85 -95.09 -35.83 0.28 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.736 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.5 Cg_endo -75.08 -38.05 1.72 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.649 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 2.1 t70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.604 HD11 ' HA ' ' A' ' 22' ' ' LEU . 27.2 pt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.643 HG13 ' N ' ' A' ' 15' ' ' THR . 2.9 t -122.94 153.05 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.868 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.32 149.45 36.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 108.269 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.862 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 8.8 m80 -84.56 145.73 27.91 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.385 1.053 . . . . 0.0 109.703 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -111.89 115.04 28.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.373 1.046 . . . . 0.0 110.375 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.967 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.29 -18.35 14.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.599 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -83.91 -49.82 8.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -103.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.349 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.96 -161.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.0 Cg_endo -75.07 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.097 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.99 102.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.2 p -152.71 139.23 18.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.923 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.862 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -77.96 102.38 7.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.348 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.588 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -130.33 126.72 61.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 0.0 109.257 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.643 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.3 m -47.95 142.25 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.175 . . . . 0.0 110.351 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.733 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.28 178.28 1.41 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.318 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.76 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.0 Cg_endo -75.15 -173.5 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.76 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.07 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.503 1.791 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 154.91 -57.27 0.4 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.65 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.0 mp0 -66.95 103.89 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.418 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.3 m-20 -83.6 6.49 20.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.757 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -174.42 -171.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.868 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -102.99 -169.5 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.193 . . . . 0.0 108.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.537 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.2 p90 -168.59 167.5 11.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.595 1.184 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.949 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.58 99.05 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.233 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.77 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.39 156.31 24.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -149.77 152.73 35.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.951 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.17 -100.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.655 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.47 118.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.147 . . . . 0.0 108.273 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.569 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 46.2 t0 -47.2 175.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.06 -0.39 9.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.376 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.6 m-85 -121.39 -10.91 8.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.58 1.175 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.607 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 3.4 t 38.27 61.79 1.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 108.302 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -61.33 175.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.5 m -73.02 -3.36 25.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.965 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.801 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.0 mmp_? -77.07 6.68 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.49 -125.26 7.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.113 . . . . 0.0 111.063 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.951 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -97.26 -168.93 1.77 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.481 0.754 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.797 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.5 -163.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.139 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -152.93 76.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.686 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.1 mt-10 -91.42 68.56 5.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.949 HD23 ' HG2' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -66.41 -178.08 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.371 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.83 -146.69 13.46 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.739 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 5.1 m -112.54 154.88 25.27 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.69 144.6 4.29 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.595 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.33 -47.46 66.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 46' ' ' ALA . 25.1 p -160.1 162.61 34.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.7 97.71 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.265 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.024 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -74.99 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.573 1.828 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.56 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.07 139.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.971 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.841 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.9 -115.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.841 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.08 -52.4 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.741 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -75.01 -106.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.432 1.754 . . . . 0.0 110.993 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.887 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.35 -53.64 5.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.733 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -36.08 73.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.887 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -86.98 89.83 8.13 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.6 1.187 . . . . 0.0 110.294 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.024 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.4 157.96 3.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.34 -145.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.5 m -153.49 172.38 17.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 108.306 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.162 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.15 114.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 108.269 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.423 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 14.7 p -109.09 -35.19 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.08 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.785 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.47 165.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.374 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.97 102.66 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.4 mttm 67.14 50.56 0.99 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.61 1.194 . . . . 0.0 109.306 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.162 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.89 27.23 5.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.997 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.84 9.54 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.997 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -75.01 69.2 5.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.544 1.812 . . . . 0.0 110.984 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.139 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.8 p80 -37.42 157.72 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.581 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.655 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.1 Cg_endo -75.06 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.41 1.742 . . . . 0.0 110.94 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 1.105 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.53 -44.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.521 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 35.8 mt-30 -56.48 83.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.684 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . 1.8 ttt-85 -143.97 -61.47 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.684 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.3 Cg_endo -75.01 61.23 5.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.772 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' B' ' 9' ' ' GLU . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.536 1.147 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.618 ' H2 ' ' CB ' ' B' ' 14' ' ' ASP . 13.4 t-80 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.673 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -159.52 167.2 29.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.967 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.89 49.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 1.07 . . . . 0.0 111.069 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.801 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -58.53 -166.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.92 40.1 1.65 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 38.4 t -146.64 -10.83 0.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.44 1.088 . . . . 0.0 110.065 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.622 ' OG ' ' HB2' ' B' ' 12' ' ' TYR . 29.1 t -167.34 170.82 11.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 1.097 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.6 tm? -129.44 -18.38 3.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 11' ' ' TRP . 5.2 mm-40 -86.08 143.48 37.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.554 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.03 29.3 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.607 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.6 t90 -126.8 -37.96 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 108.019 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.737 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 49.3 m-85 -94.54 -35.53 0.3 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.737 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.7 Cg_endo -74.92 -40.38 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.767 . . . . 0.0 111.061 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.618 ' CB ' ' H2 ' ' B' ' 1' ' ' HIS . 2.2 t0 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.62 HD11 ' HA ' ' A' ' 22' ' ' LEU . 27.5 pt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.608 HG13 ' N ' ' A' ' 15' ' ' THR . 3.1 t -123.79 156.02 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.898 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.75 150.44 37.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 108.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.839 ' CD2' ' HB2' ' A' ' 13' ' ' ALA . 9.4 m80 -84.96 146.95 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -114.51 115.15 26.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.884 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.22 -24.53 14.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.337 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.506 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -77.57 -51.2 11.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -104.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.472 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.85 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.1 -161.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.978 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.85 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.95 -54.83 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.504 1.791 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.909 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.1 OUTLIER 165.79 100.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.41 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.6 p -152.69 141.16 20.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.839 ' HB2' ' CD2' ' A' ' 4' ' ' HIS . . . -77.58 99.86 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.542 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -125.78 127.45 71.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.608 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.8 m -47.01 142.92 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.454 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.743 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.86 177.65 1.46 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 108.299 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.737 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.4 Cg_endo -75.0 -174.32 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.737 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -75.11 117.26 4.82 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.527 1.803 . . . . 0.0 110.969 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 151.28 -57.22 0.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.665 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 3.7 mp0 -66.12 104.45 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 110.326 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.511 ' H ' ' HA ' ' A' ' 46' ' ' ALA . 6.5 m-20 -85.11 9.32 15.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 1.025 HD11 ' SG ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -176.48 -168.28 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.632 1.208 . . . . 0.0 109.252 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.898 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -106.38 -170.76 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 108.345 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.538 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 17.3 p90 -166.35 168.06 15.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.86 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -137.48 100.39 4.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.777 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -84.45 155.38 22.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.335 1.022 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.456 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.6 mtt -149.54 150.24 31.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.97 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.26 -101.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 108.112 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.665 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.09 120.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.51 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 45.1 t0 -48.99 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.51 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -69.89 -3.03 14.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.474 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.7 m-85 -115.28 -14.14 11.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 111.043 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.657 ' O ' ' SG ' ' A' ' 33' ' ' CYS . 1.7 t 35.59 61.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.384 1.052 . . . . 0.0 108.364 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.7 m -67.28 176.58 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -68.72 -5.4 20.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.771 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 5.3 mmm180 -72.6 2.7 5.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.33 -127.03 8.13 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.444 1.09 . . . . 0.0 111.017 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.97 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.3 OUTLIER -97.34 -168.62 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 0.799 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.787 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -105.7 -162.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 1.173 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.29 77.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.539 1.149 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.686 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.4 mt-10 -92.31 67.77 4.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 110.272 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.962 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -65.58 -175.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 156.57 -148.3 18.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.559 1.162 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . 0.743 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 8.4 m -110.14 155.75 21.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.477 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -171.5 143.52 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.373 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.59 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -51.31 -46.73 62.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.59 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 40.6 p -159.76 161.61 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.856 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.9 OUTLIER -37.68 99.28 0.18 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.592 1.183 . . . . 0.0 108.326 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 1.034 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.08 0.89 8.39 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.409 1.742 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.546 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -26.87 140.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.839 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -95.25 -114.15 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.839 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -155.99 -52.87 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.723 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.0 -106.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.909 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -82.79 -52.88 6.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 111.052 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.702 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -37.39 72.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.909 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.1 OUTLIER -86.81 88.5 7.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.188 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.034 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.15 158.42 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.466 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 1.3 m -131.76 -154.43 0.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . 1.025 ' SG ' HD11 ' A' ' 22' ' ' LEU . 1.2 m -141.43 176.64 8.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 108.27 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 176.63 112.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.097 . . . . 0.0 108.289 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.489 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 8.7 p -109.0 -36.09 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 109.927 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.778 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -47.67 162.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.366 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.74 104.14 1.58 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.218 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.504 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 17.8 mttm 64.1 51.24 2.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.7 p -98.45 26.95 5.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 108.368 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.992 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.84 11.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.992 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -74.93 70.53 5.22 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 1.173 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.4 p80 -37.68 156.41 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.551 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.695 ' C ' ' HD3' ' A' ' 70' ' ' LYS . 18.1 Cg_endo -75.06 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.569 1.826 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 1.086 ' CD ' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -163.29 -39.78 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.584 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 28.0 mt-30 -52.26 80.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 70' ' ' LYS . 2.3 ttm-85 -165.49 132.19 2.18 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.59 ' HA ' ' CE2' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.89 114.19 3.97 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.51 1.795 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.917 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' HIS . . . . . 0.647 ' H2 ' ' CB ' ' B' ' 14' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ARG . . . . . 0.659 ' NH1' ' CE2' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -158.99 173.69 16.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.884 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -118.4 40.3 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 4' ' ' TYR . . . . . 0.771 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.2 m-85 -54.47 177.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 2.3 pt-20 -91.53 34.48 0.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' SER . . . . . 0.488 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 36.0 t -138.58 -6.84 1.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.644 1.215 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.629 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 42.2 t -174.52 170.48 3.5 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.459 1.099 . . . . 0.0 109.93 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.909 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.4 tm? -126.96 -26.4 3.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 11' ' ' TRP . 5.0 mm-40 -81.31 145.13 55.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' PRO . . . . . 0.607 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.02 26.32 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' TRP . . . . . 0.591 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.8 t-105 -124.89 -37.72 2.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 108.026 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.734 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 7.7 m-85 -94.56 -36.13 0.3 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' PRO . . . . . 0.734 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -75.0 -38.72 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ASP . . . . . 0.647 ' CB ' ' H2 ' ' B' ' 1' ' ' HIS . 2.8 t0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.585 HD11 ' HA ' ' A' ' 22' ' ' LEU . 28.7 pt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.615 HG13 ' N ' ' A' ' 15' ' ' THR . 3.6 t -125.61 158.3 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.996 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -146.53 150.18 35.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 108.332 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.889 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 23.1 m-70 -84.3 147.61 27.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -113.05 114.3 26.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.932 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.15 -16.71 15.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.571 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -85.19 -49.56 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.89 -104.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.359 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.848 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -62.81 -161.64 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.848 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.7 Cg_endo -74.97 -54.53 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.468 1.773 . . . . 0.0 111.081 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.095 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.23 103.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 109.365 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.426 ' O ' HG13 ' A' ' 14' ' ' VAL . 51.8 p -154.76 139.58 17.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.6 1.188 . . . . 0.0 109.934 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.889 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.77 99.03 4.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.559 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.05 127.99 71.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.226 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.615 ' N ' HG13 ' A' ' 2' ' ' VAL . 9.4 m -48.25 141.98 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.778 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.91 178.6 1.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.743 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.91 -174.21 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.532 1.807 . . . . 0.0 111.058 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.743 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 115.78 4.39 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.517 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.0 -55.96 0.45 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.453 1.095 . . . . 0.0 110.966 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.667 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 33.4 mp0 -66.42 105.33 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 0.746 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -86.14 7.18 25.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.775 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -174.66 -170.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.996 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -104.14 -171.58 1.96 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 108.243 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 19.1 p90 -166.9 167.93 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.955 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.917 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -136.83 98.78 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.361 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.782 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.31 155.98 24.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.6 mtt -149.87 149.44 30.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.967 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.16 -101.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.69 119.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 108.218 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.512 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 40.8 t0 -48.21 178.04 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.66 -0.76 13.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.398 1.061 . . . . 0.0 109.252 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.5 m-85 -119.71 -11.86 9.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.62 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 4.0 t 37.5 59.14 1.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.8 m -59.51 176.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.046 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -73.04 -2.42 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.942 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.814 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -76.99 3.8 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.239 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.94 -124.18 7.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.967 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -97.95 -168.86 1.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 0.74 . . . . 0.0 109.371 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.799 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.68 -162.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.126 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.5 75.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.659 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.7 mt-10 -90.13 68.28 7.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.939 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.68 -179.34 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.231 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.498 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.58 -146.75 13.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.778 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 4.8 m -112.15 155.32 24.12 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.77 144.92 4.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.633 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.84 -46.96 68.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.224 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.7 p -160.57 162.47 32.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.442 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.84 97.66 0.13 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.36 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 1.044 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -74.95 -4.57 15.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.45 1.763 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.11 139.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.923 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.841 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.85 -114.93 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.841 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -155.93 -52.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.737 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.2 Cg_endo -75.0 -107.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.792 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.894 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.4 p90 -82.39 -53.13 6.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.74 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.6 mt-10 -36.63 72.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.894 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -87.08 90.57 8.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 110.23 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.044 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.6 t -98.43 158.03 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.233 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.57 -145.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.587 1.179 . . . . 0.0 110.386 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.3 m -153.16 171.98 17.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.374 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.95 114.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 108.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.498 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 24.6 p -110.02 -34.52 6.39 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.783 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.3 165.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.7 103.54 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.487 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.8 mttm 65.31 50.99 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.36 27.34 5.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 108.291 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 1.0 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.78 9.57 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.0 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.95 69.42 5.51 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.4 1.737 . . . . 0.0 111.042 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.132 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.7 p80 -37.83 158.04 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.571 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.648 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -74.98 104.59 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.522 1.801 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 1.132 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.99 -40.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.693 HE21 ' HZ1' ' A' ' 70' ' ' LYS . 40.2 mt-30 -57.05 78.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.371 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 70' ' ' LYS . 46.2 ttt180 -167.96 141.27 2.69 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.3 Cg_endo -75.04 108.75 2.79 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.563 1.164 . . . . 0.0 110.985 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . 0.769 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 3.4 t-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.673 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -172.6 168.11 5.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.932 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.72 49.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.602 1.189 . . . . 0.0 110.999 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.814 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.4 m-85 -58.8 -165.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.51 39.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.274 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . 0.429 ' CB ' ' NE ' ' A' ' 36' ' ' ARG . 13.0 t -148.68 -4.61 0.44 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.643 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 15.6 t -173.09 166.89 4.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 1.095 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -125.83 -23.17 4.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.093 . . . . 0.0 109.359 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.513 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.0 mm-40 -83.4 144.04 45.71 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.509 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -74.92 24.88 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' TRP . . . . . 0.588 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.3 t-105 -124.65 -34.5 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.741 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.2 m-30 -96.68 -35.75 0.27 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.741 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.1 Cg_endo -75.01 -37.47 2.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.602 1.843 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.769 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 2.2 t0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.233 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 22' ' ' LEU . 32.2 pt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.641 HG13 ' N ' ' A' ' 15' ' ' THR . 3.2 t -127.09 155.79 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.83 149.93 36.26 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 108.286 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.877 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.8 m-70 -84.78 145.87 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.556 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -111.41 114.58 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.938 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.53 -16.11 15.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.449 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.584 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -86.11 -49.01 8.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.97 -103.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.854 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.55 -161.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.854 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.97 -54.62 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.498 1.789 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.088 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.98 103.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.423 ' O ' HG13 ' A' ' 14' ' ' VAL . 52.9 p -154.09 138.95 17.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.039 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.877 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.68 99.97 5.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.625 1.203 . . . . 0.0 109.256 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.566 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.66 127.13 68.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.641 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.3 m -48.05 142.56 5.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.772 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.63 178.42 1.35 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 108.333 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.759 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.6 Cg_endo -74.89 -173.63 1.62 Allowed 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.759 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 114.31 4.0 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.359 1.715 . . . . 0.0 111.055 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.527 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 153.44 -56.34 0.43 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.675 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 12.9 mp0 -66.57 103.71 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.594 0.82 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.4 m120 -83.98 5.76 24.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -173.65 -171.37 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.06 -170.8 1.84 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 0.0 108.282 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.516 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.4 p90 -167.79 167.29 13.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.93 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.27 98.93 3.97 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.549 1.156 . . . . 0.0 110.346 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.762 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.5 156.14 24.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.453 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.13 150.81 32.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.965 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.27 -101.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 107.997 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.668 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.41 118.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 108.337 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.504 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 42.3 t0 -47.07 177.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.64 -0.65 13.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.6 m-85 -120.72 -10.21 9.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.604 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.1 t 37.1 62.43 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.9 m -60.55 175.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.687 ' CB ' HH21 ' A' ' 36' ' ' ARG . 47.4 m -72.8 -4.73 33.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.77 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.1 mmp_? -76.04 5.51 6.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.05 -124.59 7.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.614 1.196 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.965 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -97.08 -169.41 1.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.235 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.789 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.42 -161.73 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.138 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.93 76.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.661 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.8 mt-10 -90.62 68.33 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.957 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.54 -178.34 0.68 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.422 1.076 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.65 -146.91 13.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.772 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.1 m -112.14 155.13 24.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.445 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.46 144.93 4.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.402 1.064 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.71 -47.58 67.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 46' ' ' ALA . 25.1 p -160.35 161.07 33.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.627 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.03 97.68 0.12 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 108.303 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 1.035 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.98 -5.06 16.32 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.446 1.761 . . . . 0.0 110.992 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.56 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -24.86 139.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.852 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.91 -114.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.371 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.852 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.29 -52.35 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.07 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.741 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.94 -106.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.901 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.25 -53.67 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.73 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -36.14 72.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.901 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -86.46 90.71 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.035 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.4 t -98.56 158.11 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -127.4 -144.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.627 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.3 m -154.36 171.86 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 108.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.76 114.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.338 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.431 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 18.9 p -110.25 -33.88 6.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.153 . . . . 0.0 110.056 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.788 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.64 166.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.385 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.68 103.33 3.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.483 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.2 mttm 65.53 51.2 1.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.593 1.183 . . . . 0.0 109.308 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -99.78 27.39 5.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 108.31 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.999 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.16 9.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.999 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.94 69.66 5.44 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.452 1.764 . . . . 0.0 111.098 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.138 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.9 p80 -38.32 158.11 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.629 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.649 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -75.04 104.81 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 111.05 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 1.124 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.87 -41.05 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 109.263 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.618 HE21 ' HZ1' ' A' ' 70' ' ' LYS . 38.9 mt-30 -54.56 79.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.325 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -164.58 132.78 2.61 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.38 3.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.942 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . 0.549 ' H2 ' ' C ' ' B' ' 14' ' ' ASP . 28.6 t-80 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.688 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -166.0 167.49 16.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.938 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.15 49.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.77 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -59.39 -166.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.935 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.5 39.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.72 -3.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.656 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 18.8 t -174.18 167.03 4.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.911 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 1.088 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.6 tm? -126.58 -23.11 3.81 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.6 mm-40 -83.73 145.03 46.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.356 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.54 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -74.95 24.07 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.415 1.745 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' TRP . . . . . 0.606 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.3 OUTLIER -123.33 -38.18 2.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 108.077 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.74 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 7.0 m-85 -92.79 -35.91 0.34 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.74 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.5 Cg_endo -74.88 -37.97 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.522 1.801 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.549 ' C ' ' H2 ' ' B' ' 1' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.567 HD11 ' HA ' ' A' ' 22' ' ' LEU . 28.0 pt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.611 HG13 ' N ' ' A' ' 15' ' ' THR . 3.4 t -125.48 156.11 34.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.983 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.4 m -144.92 149.58 35.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.87 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.2 m-70 -83.14 146.61 28.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -112.2 114.62 27.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.349 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.943 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.24 -17.31 15.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.426 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.569 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.74 -49.08 8.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.0 -104.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.852 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.14 -161.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.071 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.852 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.97 -55.25 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.477 1.778 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.095 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.88 103.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.243 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.459 ' O ' HG13 ' A' ' 14' ' ' VAL . 52.5 p -156.01 138.84 15.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.87 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -75.48 98.59 3.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.533 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.3 128.15 71.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.611 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.1 m -47.22 142.75 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.792 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -99.37 178.85 1.17 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.573 1.171 . . . . 0.0 108.318 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.731 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -74.99 -174.67 2.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 0.0 111.029 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.731 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 118.69 5.36 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.487 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 149.13 -55.03 0.49 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.626 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 37.3 mp0 -67.71 106.64 2.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.589 0.817 . . . . 0.0 110.243 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -87.01 5.2 38.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -172.06 -171.35 0.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.983 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.8 m -103.02 -171.7 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.523 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 19.2 p90 -167.24 167.9 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.927 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.99 98.97 3.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.77 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.46 155.82 24.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.385 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.62 149.34 30.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.97 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.47 -101.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.143 . . . . 0.0 107.969 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.46 121.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 108.329 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.549 ' OD1' ' NE ' ' B' ' 2' ' ' ARG . 42.3 t0 -49.61 178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.02 -1.4 14.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.6 m-85 -116.97 -14.8 10.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.951 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.674 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 1.7 t 35.51 60.58 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 108.329 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.4 m -72.8 177.06 5.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.436 ' C ' ' H ' ' A' ' 37' ' ' GLY . 11.1 m -64.25 -9.5 17.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.034 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.765 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 9.5 mmm180 -67.65 1.49 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 84.23 -129.37 9.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.42 1.075 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.97 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -96.01 -168.2 1.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.792 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -106.45 -162.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.135 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.22 76.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.349 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.66 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.7 mt-10 -90.33 68.98 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.959 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.89 -176.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.193 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 156.45 -148.36 18.17 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.582 1.176 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.845 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 25.9 m -111.27 154.06 25.02 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.03 144.75 5.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.303 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' ' 47' ' ' THR . . . -51.79 -48.03 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.3 p -160.4 161.59 33.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.54 97.45 0.11 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 1.036 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.4 Cg_endo -74.97 -4.82 15.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.473 1.775 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.564 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -24.82 139.61 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.862 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.41 -114.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.862 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.61 -52.44 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.734 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.9 -107.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.559 1.821 . . . . 0.0 110.988 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.906 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.51 -53.18 6.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.744 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.7 mt-10 -36.52 72.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.906 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -86.25 89.64 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.036 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.65 157.99 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.8 -146.22 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 13.1 m -152.46 172.35 16.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 108.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.202 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.52 115.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 108.394 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.494 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 33.6 p -110.58 -35.26 6.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.92 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.775 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.83 165.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.434 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.87 104.48 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.336 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.476 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 38.0 mttt 64.47 51.32 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 1.202 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.88 27.41 5.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 108.258 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.997 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.11 10.12 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.997 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -74.9 69.29 5.5 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.45 1.763 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.14 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.9 p80 -38.24 157.78 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.633 1.208 . . . . 0.0 109.684 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.652 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.98 105.12 2.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.812 . . . . 0.0 111.059 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 1.14 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -160.44 -40.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.399 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.581 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 41.1 mt-30 -54.91 79.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' A' ' 70' ' ' LYS . 3.2 ttt180 -163.28 133.03 3.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 114.36 4.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.956 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . 0.57 ' H2 ' ' C ' ' B' ' 14' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.686 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -164.82 167.94 18.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.083 . . . . 0.0 110.299 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.943 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.58 48.5 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 111.052 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.765 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.5 m-85 -56.37 -165.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 6.4 pt-20 -107.07 34.47 3.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 1.18 . . . . 0.0 110.363 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . 0.424 ' HB3' ' NE ' ' A' ' 36' ' ' ARG . 40.8 t -145.18 -0.35 0.88 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.689 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 14.3 t -175.0 166.44 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.092 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 1.095 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -127.26 -24.26 3.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.621 1.201 . . . . 0.0 109.329 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' B' ' 11' ' ' TRP . 5.7 mm-40 -81.85 144.8 52.46 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.535 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.3 Cg_endo -75.02 25.12 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' TRP . . . . . 0.612 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 3.8 t-105 -125.22 -37.74 2.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.741 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.6 m-85 -93.03 -35.53 0.33 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.741 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.93 -39.5 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.542 1.812 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.57 ' C ' ' H2 ' ' B' ' 1' ' ' HIS . 6.7 t70 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 109.239 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.641 HD11 ' HA ' ' A' ' 22' ' ' LEU . 32.6 pt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.638 HG13 ' N ' ' A' ' 15' ' ' THR . 3.3 t -126.69 155.07 37.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.23 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.6 150.58 37.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.15 . . . . 0.0 108.342 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.9 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.5 m-70 -85.82 145.99 26.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.607 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -111.69 115.08 28.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.437 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.951 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.74 -17.34 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.616 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.77 -49.49 8.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.43 -103.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.43 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.855 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.81 -161.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.045 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.855 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.95 -54.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.05 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.103 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.02 103.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.407 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.3 p -153.16 138.68 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.9 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.11 100.72 5.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.58 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -128.96 127.16 65.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.195 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.638 ' N ' HG13 ' A' ' 2' ' ' VAL . 8.6 m -48.15 142.21 5.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.774 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.12 178.46 1.36 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 108.188 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.765 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.98 -173.4 1.55 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.425 1.75 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.765 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.0 114.58 4.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.507 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 153.34 -56.29 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.672 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 7.7 mp0 -67.37 103.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -83.41 5.62 22.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.3 -171.36 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.411 1.069 . . . . 0.0 109.311 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.34 -170.01 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 108.415 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.53 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 19.2 p90 -168.3 167.84 11.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.948 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.69 98.58 3.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.085 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.757 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -81.97 156.23 24.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -150.12 151.51 33.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.95 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.78 -100.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.059 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.689 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -178.26 117.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 108.339 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 46.7 t0 -48.66 175.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.511 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -69.93 -2.08 11.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.7 m-85 -117.01 -13.04 10.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.598 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 4.6 t 37.71 60.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 108.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.8 m -59.86 174.36 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.936 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 m -71.66 -4.36 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.941 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.746 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.3 mmp_? -76.1 5.94 6.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.42 -125.29 7.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.95 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -96.5 -169.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.797 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.11 -162.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.127 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.51 76.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.368 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.683 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 2.9 mt-10 -91.4 68.07 5.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 110.267 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.953 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -65.86 -177.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.38 -146.85 13.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.774 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.8 m -112.37 155.24 24.48 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.451 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.81 144.55 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.608 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.41 -47.82 66.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.9 p -160.06 161.26 33.88 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.37 97.65 0.12 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.24 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 1.045 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -74.99 -5.26 16.58 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.577 1.83 . . . . 0.0 111.076 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -24.1 139.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.056 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.842 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.64 -114.77 0.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.435 1.084 . . . . 0.0 109.255 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.842 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.03 -52.65 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.738 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -74.85 -106.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.901 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.76 -53.26 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.734 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.8 mt-10 -36.54 72.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.901 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -86.58 90.08 8.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 110.259 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.045 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.4 t -97.48 158.41 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.5 m -127.78 -145.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.2 m -153.54 172.04 17.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 108.306 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.6 114.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 108.325 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 6.4 p -110.4 -34.38 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.09 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.49 165.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.431 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.19 103.82 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.482 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 38.7 mttt 65.2 51.0 1.7 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.542 1.152 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.78 27.34 5.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.232 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 1.0 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.99 9.48 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.0 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.87 69.66 5.39 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.534 1.807 . . . . 0.0 111.065 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.127 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.7 p80 -38.2 158.13 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.506 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.662 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -75.0 104.65 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.557 1.819 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 1.118 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.2 -41.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.609 HE21 ' HZ2' ' A' ' 70' ' ' LYS . 40.4 mt-30 -55.56 80.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 70' ' ' LYS . 51.4 ttp180 -168.85 140.54 2.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.318 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -75.11 112.72 3.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.478 1.112 . . . . 0.0 110.946 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . 0.666 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 8.0 t60 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.698 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -162.16 168.34 22.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.614 1.196 . . . . 0.0 110.242 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.951 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.63 49.87 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.746 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -59.88 -166.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.513 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.36 38.94 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . 0.455 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 33.1 t -146.4 -5.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.622 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 13.5 t -172.99 169.05 4.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.914 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 1.103 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -127.87 -21.34 3.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' B' ' 11' ' ' TRP . 1.3 mt-10 -85.27 144.53 41.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.55 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -74.99 26.0 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' TRP . . . . . 0.608 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.3 OUTLIER -124.64 -37.41 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.0 m-85 -94.31 -35.49 0.3 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.92 -38.97 1.39 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.545 1.813 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.666 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 3.5 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.556 HD11 ' HA ' ' A' ' 22' ' ' LEU . 30.1 pt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.591 HG13 ' N ' ' A' ' 15' ' ' THR . 2.9 t -124.75 157.15 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 1.007 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.7 m -146.06 149.87 34.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.871 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.8 m-70 -83.33 147.68 27.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.624 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -113.32 114.44 26.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.952 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.1 -16.88 15.63 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.544 1.152 . . . . 0.0 110.378 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.6 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -85.2 -49.2 8.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.86 -104.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.852 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.07 -161.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.852 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.95 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.114 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.49 104.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.435 ' O ' HG13 ' A' ' 14' ' ' VAL . 51.4 p -157.01 139.78 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.871 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.14 97.83 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.5 ' C ' HG13 ' A' ' 2' ' ' VAL . 1.0 OUTLIER -124.61 129.5 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.591 ' N ' HG13 ' A' ' 2' ' ' VAL . 5.1 m -48.16 143.08 4.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.369 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.787 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.5 178.99 1.1 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.378 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.716 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.1 Cg_endo -75.01 -175.15 2.22 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.57 1.826 . . . . 0.0 110.974 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.716 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.5 Cg_endo -75.05 118.81 5.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.571 1.827 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.513 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 149.22 -55.67 0.49 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.641 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 36.7 mp0 -66.49 106.1 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 0.817 . . . . 0.0 110.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.4 m120 -86.68 5.29 36.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -172.23 -171.55 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 1.007 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.8 m -102.54 -172.22 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 108.24 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.525 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.9 p90 -167.03 167.52 14.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.972 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.49 99.27 4.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.769 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.86 157.05 23.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.226 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.487 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.35 152.95 35.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.596 1.185 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.976 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.58 -101.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 107.967 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.664 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.36 121.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 108.239 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.55 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 42.4 t0 -49.42 177.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.85 -1.65 14.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.3 m-85 -116.93 -13.94 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 1.9 t 35.45 60.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 108.282 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.0 m -71.52 175.9 5.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.428 ' C ' ' H ' ' A' ' 37' ' ' GLY . 14.0 m -64.68 -8.8 15.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.756 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 8.7 mmm180 -68.25 1.53 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 85.09 -127.94 8.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.976 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -97.05 -169.12 1.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 0.76 . . . . 0.0 109.355 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.797 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -105.05 -163.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.127 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -152.45 77.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 0.0 109.23 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.677 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -92.62 70.11 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.972 HD23 ' HG2' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -67.25 -176.7 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.381 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 156.86 -148.96 19.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.377 1.048 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 23.9 m -110.94 153.54 25.37 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.414 ' N ' ' HB3' ' A' ' 20' ' ' GLU . . . -165.61 145.64 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.353 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.72 -47.83 67.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.9 p -160.58 162.16 32.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.509 1.131 . . . . 0.0 110.468 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.625 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.91 97.11 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.322 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 1.048 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.4 Cg_endo -74.88 -4.65 15.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.521 1.8 . . . . 0.0 111.049 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.558 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -25.3 139.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.927 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.848 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.19 -114.62 0.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.848 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -156.17 -52.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.392 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.732 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.1 Cg_endo -75.0 -107.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.898 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.51 -52.96 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.738 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.0 mt-10 -36.91 72.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.898 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -86.76 90.42 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 110.233 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.048 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.29 158.18 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.344 1.028 . . . . 0.0 109.284 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.74 -146.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.456 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.625 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.8 m -152.64 172.29 16.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 108.252 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.204 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 178.82 115.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.456 1.097 . . . . 0.0 108.381 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.495 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 24.7 p -109.63 -35.09 6.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.79 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.44 164.01 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.44 103.13 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HG2' ' CB ' ' A' ' 13' ' ' ALA . 72.0 mttt 66.63 50.32 1.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.373 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 1.204 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.7 p -99.91 28.45 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.331 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.994 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.88 10.44 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.994 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.99 69.6 5.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.134 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -38.37 158.27 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.65 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.635 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.5 Cg_endo -74.91 104.18 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.536 1.808 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 1.134 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.5 -40.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.639 HE21 ' HZ2' ' A' ' 70' ' ' LYS . 36.9 mt-30 -56.47 78.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.411 1.069 . . . . 0.0 110.349 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 70' ' ' LYS . 55.9 ttt180 -167.36 141.38 3.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -75.03 112.72 3.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.436 1.756 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . 0.654 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 13.1 t-80 . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.68 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -169.48 167.87 9.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.135 . . . . 0.0 110.411 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.952 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.61 48.16 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.756 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.6 m-85 -56.15 -165.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 7.0 pt-20 -106.57 32.25 4.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . 0.515 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 17.7 t -142.2 -0.24 1.29 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.68 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 31.0 t -176.18 167.53 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 1.114 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.4 tm? -126.6 -27.31 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' B' ' 11' ' ' TRP . 4.6 mm-40 -79.39 144.12 61.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.526 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -74.94 24.78 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' TRP . . . . . 0.612 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.9 OUTLIER -123.33 -38.43 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 107.994 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.6 m-30 -93.65 -35.48 0.32 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.99 -37.25 2.11 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.497 1.788 . . . . 0.0 111.054 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.654 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 2.7 t0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.61 HD11 ' HA ' ' A' ' 22' ' ' LEU . 28.2 pt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.623 HG13 ' N ' ' A' ' 15' ' ' THR . 3.3 t -125.74 157.36 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.97 150.23 35.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 108.293 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.88 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.8 m-70 -84.9 147.12 26.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.565 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -113.02 115.49 28.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.966 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.52 -17.91 15.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.612 1.195 . . . . 0.0 110.478 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.26 -49.72 8.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.14 -103.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.414 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.858 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -64.03 -161.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.969 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.858 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.6 Cg_endo -75.07 -54.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.779 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.106 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.06 102.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.445 ' O ' HG13 ' A' ' 14' ' ' VAL . 59.1 p -153.92 138.94 17.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.618 1.199 . . . . 0.0 109.929 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.88 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.21 100.03 4.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.565 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.55 128.0 69.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.588 1.18 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.623 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.0 m -47.85 142.7 4.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.471 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.768 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.76 178.93 1.16 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 108.347 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.738 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.0 -174.56 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.738 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.99 115.1 4.19 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.502 1.79 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.518 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.89 -56.37 0.43 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.409 1.068 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.654 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 41.1 mp0 -66.54 104.43 1.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 0.755 . . . . 0.0 110.35 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.4 m120 -84.62 5.97 25.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.12 -170.8 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.602 1.189 . . . . 0.0 109.255 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.76 -170.96 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.345 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.537 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.1 p90 -167.59 167.51 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.934 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.48 99.19 4.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.342 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.771 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.58 156.76 23.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.48 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -150.3 151.63 33.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.975 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -168.5 -101.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 107.991 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.65 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.57 120.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 108.302 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.542 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.5 t0 -49.4 177.96 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.524 1.14 . . . . 0.0 109.215 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.37 -0.76 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.611 1.194 . . . . 0.0 109.247 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.9 m-85 -117.92 -13.78 10.05 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.572 1.17 . . . . 0.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.638 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 2.8 t 35.97 60.29 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -67.9 175.87 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.946 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.5 m -67.25 -6.66 19.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 110.048 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.77 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 6.0 mmm180 -71.19 2.67 4.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.7 -128.2 8.66 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.528 1.143 . . . . 0.0 111.063 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.975 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -96.24 -169.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.805 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.57 -163.78 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.124 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -152.53 77.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.687 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 2.9 mt-10 -92.0 69.69 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 0.0 110.241 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.956 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -67.72 -179.0 1.03 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.626 1.204 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.88 -145.92 11.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.58 1.175 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.768 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.7 m -113.49 154.13 27.55 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.59 144.65 5.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.01 -47.16 65.1 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.8 p -160.71 161.95 32.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.632 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.81 97.51 0.12 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 108.299 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 1.024 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.01 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -25.23 139.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.082 . . . . 0.0 110.031 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.855 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.36 -114.54 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.388 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.855 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.63 -52.29 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.737 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.95 -106.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.883 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.35 -53.15 5.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.743 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.7 mt-10 -36.26 73.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.883 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -86.92 90.74 8.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.236 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.024 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.59 158.26 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.93 -146.25 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.351 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.632 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.3 m -152.6 171.75 17.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 108.384 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.164 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.9 115.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 108.291 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.493 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 23.0 p -110.9 -35.33 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.971 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.35 165.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.3 103.46 2.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 18.4 mttm 65.37 51.32 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.162 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 1.164 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.91 27.62 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 108.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.995 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.07 9.48 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.18 . . . . 0.0 109.285 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.995 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.9 69.52 5.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.553 1.817 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.124 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.7 p80 -38.1 157.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.069 . . . . 0.0 109.631 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.664 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -75.01 104.34 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.562 1.822 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 1.105 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -162.22 -37.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.599 HE21 ' HZ2' ' A' ' 70' ' ' LYS . 38.2 mt-30 -60.39 61.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.661 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -99.07 -53.95 0.19 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.162 . . . . 0.0 110.345 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.599 ' HB2' ' CE2' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.96 -163.04 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.771 . . . . 0.0 111.064 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.428 1.08 . . . . 0.0 110.989 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . 0.627 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 3.4 p-80 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.683 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -163.86 167.21 21.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.361 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.966 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.14 49.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.893 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.77 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -57.45 -165.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 1.7 pt-20 -106.91 34.7 3.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . 0.516 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 12.6 t -144.6 -3.51 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.953 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.614 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 19.6 t -172.66 165.56 5.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.017 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 1.106 HD21 ' CD1' ' A' ' 11' ' ' ILE . 2.0 tm? -126.28 -23.58 3.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.518 ' C ' ' H ' ' B' ' 11' ' ' TRP . 75.3 mm-40 -81.86 143.97 50.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 110.364 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.522 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.5 Cg_endo -74.97 27.83 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.462 1.769 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' TRP . . . . . 0.622 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.7 OUTLIER -126.84 -38.18 2.06 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 45.2 m-85 -94.0 -34.95 0.31 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.98 -42.0 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.407 1.741 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.627 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 3.5 t0 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.399 1.062 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.637 HD11 ' HA ' ' A' ' 22' ' ' LEU . 32.6 pt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.629 HG13 ' N ' ' A' ' 15' ' ' THR . 3.4 t -126.71 156.04 37.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.43 148.92 33.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.889 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.5 m-70 -84.11 146.15 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.41 1.068 . . . . 0.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -112.45 115.12 28.18 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.138 . . . . 0.0 110.428 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.944 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.1 -18.74 14.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.404 1.065 . . . . 0.0 110.408 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -83.29 -50.24 8.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.7 -103.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.17 . . . . 0.0 110.466 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.853 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.74 -161.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.081 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.853 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -75.01 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.438 1.757 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.083 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.4 102.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' HG13 ' A' ' 14' ' ' VAL . 57.8 p -153.79 139.26 17.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.889 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.08 100.68 5.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.093 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.58 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -128.8 126.87 65.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 109.334 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.629 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.6 m -47.66 142.4 4.57 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.559 1.162 . . . . 0.0 110.419 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.79 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.42 179.06 1.17 Allowed Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.109 . . . . 0.0 108.311 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.748 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.96 -174.19 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.748 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.89 114.44 4.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.527 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 153.56 -56.75 0.42 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.48 1.112 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.642 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.5 mp0 -66.53 104.55 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.309 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -84.52 6.3 24.17 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.387 1.054 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.56 -171.36 0.67 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -103.31 -169.93 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.596 1.185 . . . . 0.0 108.354 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.533 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.9 p90 -168.54 167.37 11.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.928 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.29 99.03 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.761 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.36 156.7 24.08 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.363 1.039 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -150.36 150.83 31.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.978 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -167.66 -101.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 107.979 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.655 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.28 119.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 108.317 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.529 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.4 t0 -48.63 177.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.14 -0.97 13.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.8 m-85 -118.53 -12.0 9.85 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.627 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.0 t 36.62 60.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 108.284 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.1 m -63.1 176.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 0.0 109.975 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.8 m -71.48 -4.36 26.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.045 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.806 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.1 mmm180 -74.76 4.61 6.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.59 -125.43 7.41 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.978 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -97.24 -168.51 1.71 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 0.807 . . . . 0.0 109.387 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.806 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -104.55 -162.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.187 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.131 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.78 77.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.686 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 2.8 mt-10 -92.02 68.98 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.965 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.95 -178.8 0.81 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.28 -147.56 15.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.412 1.07 . . . . 0.0 111.067 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.79 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.6 m -111.42 154.96 23.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.74 144.41 4.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.573 ' O ' HG23 ' A' ' 47' ' ' THR . . . -51.95 -48.03 64.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 46' ' ' ALA . 28.2 p -159.82 162.17 34.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.445 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.636 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.11 97.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 1.03 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.0 Cg_endo -75.05 -4.31 15.21 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.26 139.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.06 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.875 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.76 -114.26 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.875 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.97 -52.32 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.197 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.736 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.96 -106.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.504 1.791 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.883 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.09 -52.86 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 111.054 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.734 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.6 mt-10 -37.12 73.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.883 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -87.25 90.23 8.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.363 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.03 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.93 158.06 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -127.58 -144.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.636 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.4 m -153.68 171.97 18.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 108.235 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.16 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.82 114.8 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 15.5 p -110.24 -34.08 6.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.05 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.785 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.67 165.25 0.07 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.511 1.132 . . . . 0.0 110.481 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.7 103.53 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.474 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.0 mttm 65.29 51.36 1.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 1.16 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.88 27.31 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 108.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.994 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.15 9.98 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.994 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.93 69.3 5.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.173 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -38.74 158.28 0.1 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 109.524 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.622 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.04 104.57 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.439 1.757 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 1.173 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -159.36 -39.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.567 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 48.6 mt-30 -62.22 61.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.066 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -96.26 -55.31 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.592 1.183 . . . . 0.0 110.33 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 72' ' ' ARG . 18.6 Cg_endo -74.95 -28.91 8.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 110.96 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.453 ' C ' ' CG ' ' B' ' 9' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.6 1.188 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . 0.704 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 3.7 t-160 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.689 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -176.49 167.01 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.944 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.17 48.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.806 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -58.06 -166.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.423 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.82 38.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . 0.458 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 16.7 t -154.21 10.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.832 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 1.6 t 175.57 161.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.068 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 1.083 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -125.02 -24.59 4.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.593 1.183 . . . . 0.0 109.262 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' B' ' 11' ' ' TRP . 2.1 mm-40 -81.61 142.76 49.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.238 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.499 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -75.05 32.94 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.578 1.831 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' TRP . . . . . 0.664 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -132.4 -36.02 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.78 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 15.3 m-30 -97.46 -32.29 0.26 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.78 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.96 -42.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.704 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.629 HD11 ' HA ' ' A' ' 22' ' ' LEU . 31.6 pt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.616 HG13 ' N ' ' A' ' 15' ' ' THR . 3.3 t -126.24 156.24 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.14 149.66 35.38 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.875 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.7 m-70 -84.2 147.23 27.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -113.18 114.77 27.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.401 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.958 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.22 -17.46 15.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.69 -49.49 8.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.218 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.54 -103.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.189 . . . . 0.0 110.378 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.857 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.96 -161.4 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.857 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.98 -54.7 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.095 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.04 103.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.445 ' O ' HG13 ' A' ' 14' ' ' VAL . 56.3 p -154.57 138.64 16.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.92 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.875 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.21 100.03 4.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.394 1.059 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.555 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.38 127.43 69.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.616 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.0 m -46.96 142.58 3.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.456 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.776 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.63 178.53 1.28 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 108.328 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.742 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.95 -174.45 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.446 1.761 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.742 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.06 115.92 4.42 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.526 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 151.99 -56.3 0.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.127 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.661 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 35.4 mp0 -66.22 105.2 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.302 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -85.59 6.27 28.01 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.582 1.176 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.766 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -173.9 -171.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -103.29 -170.65 1.82 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 108.337 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.534 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.1 p90 -168.12 167.12 12.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.946 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.04 99.43 4.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.77 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.83 156.61 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.389 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.17 151.27 32.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.969 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.84 -101.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 107.979 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.653 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.51 120.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 108.293 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.541 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.5 t0 -49.05 177.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.03 -1.51 14.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 109.37 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.2 m-85 -117.65 -13.57 10.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.654 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 2.0 t 36.17 61.11 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.414 1.071 . . . . 0.0 108.206 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -67.63 175.92 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.925 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.405 ' C ' ' H ' ' A' ' 37' ' ' GLY . 15.1 m -67.53 -7.15 23.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.048 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.784 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.9 mmm180 -70.92 3.06 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 85.72 -127.32 8.21 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.969 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -96.69 -169.01 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 109.277 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.8 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.44 -163.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.125 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.05 77.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.681 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -92.28 69.09 5.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.952 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.71 -177.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.06 -147.06 14.4 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.435 1.084 . . . . 0.0 111.07 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.776 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.0 m -112.32 155.6 23.84 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.12 145.45 4.18 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.393 1.058 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.605 ' O ' HG23 ' A' ' 47' ' ' THR . . . -53.14 -47.05 69.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 46' ' ' ALA . 27.3 p -160.57 162.01 32.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.1 97.69 0.12 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 108.309 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 1.029 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.08 -4.56 15.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.561 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.04 139.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.047 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.835 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.05 -114.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.835 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -155.91 -52.66 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.739 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -74.87 -106.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.472 1.775 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.895 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.94 -53.29 5.95 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.551 1.157 . . . . 0.0 111.093 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.746 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.1 mt-10 -36.2 72.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 110.275 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.895 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -86.72 90.83 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.029 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.57 157.86 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -127.44 -146.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.419 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.0 m -152.8 171.53 18.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 108.273 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.177 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.99 115.29 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.092 . . . . 0.0 108.345 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.459 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 24.4 p -110.22 -34.6 6.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.782 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.05 165.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.436 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.11 103.58 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.485 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 32.9 mttt 65.53 51.02 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.4 1.063 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 1.177 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.61 27.31 5.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.994 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.1 9.91 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.994 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.98 69.09 5.62 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.399 1.736 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.16 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.7 p80 -38.49 158.16 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.586 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.633 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -75.04 104.24 1.87 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.587 1.835 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 1.16 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -160.2 -38.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.375 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.585 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 43.3 mt-30 -62.5 61.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.404 1.065 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 70' ' ' LYS . 2.1 ttt180 -96.33 -55.64 0.21 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.204 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.505 ' HD3' ' CB ' ' A' ' 72' ' ' ARG . 18.3 Cg_endo -74.89 150.72 39.17 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.779 . . . . 0.0 111.087 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . 0.539 ' N ' ' C ' ' B' ' 14' ' ' ASP . 27.8 m80 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.686 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER 178.23 165.72 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.958 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -115.55 49.56 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.784 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.1 m-85 -58.4 -164.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.5 OUTLIER -107.53 38.8 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.261 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . 0.438 ' HB3' ' NE ' ' A' ' 36' ' ' ARG . 17.7 t -153.4 4.3 0.31 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.775 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 1.4 t -177.45 162.61 1.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.956 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 1.095 HD21 ' CD1' ' A' ' 11' ' ' ILE . 2.0 tm? -126.87 -23.13 3.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.483 ' C ' ' H ' ' B' ' 11' ' ' TRP . 4.1 mm-40 -83.12 142.91 44.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.412 1.07 . . . . 0.0 110.252 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.512 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -75.05 37.5 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' TRP . . . . . 0.696 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -136.72 -36.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.792 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.3 m-85 -97.8 -30.57 0.25 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.792 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.6 Cg_endo -74.84 -43.36 0.43 Allowed 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.481 1.78 . . . . 0.0 111.06 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.539 ' C ' ' N ' ' B' ' 1' ' ' HIS . 1.3 t0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 22' ' ' LEU . 22.2 pt . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.597 HG13 ' N ' ' A' ' 15' ' ' THR . 2.7 t -123.03 157.03 28.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.87 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.66 149.99 35.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.25 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.888 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.3 m-70 -85.11 146.47 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.521 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -111.76 114.66 27.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.961 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.36 -16.57 15.59 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.457 1.098 . . . . 0.0 110.428 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.586 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -85.54 -49.23 8.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.396 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.93 -104.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.444 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.861 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.2 -161.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.861 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.94 -54.73 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.437 1.756 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.121 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.9 102.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.434 ' O ' HG13 ' A' ' 14' ' ' VAL . 51.9 p -153.74 138.71 17.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.888 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.39 97.66 4.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.499 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -124.76 129.13 73.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.597 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.8 m -48.13 143.17 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.746 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.0 178.3 1.31 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.317 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.722 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.04 -175.17 2.23 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.569 1.826 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.722 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.01 115.43 4.28 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.544 1.813 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.501 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.89 -55.53 0.44 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.619 1.199 . . . . 0.0 111.067 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.654 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 47.7 mp0 -67.4 104.91 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -85.09 5.79 28.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.766 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.09 -170.77 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.87 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.98 -170.83 1.83 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.123 . . . . 0.0 108.333 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.522 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 17.9 p90 -167.62 167.68 13.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.915 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.93 99.2 3.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.778 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.41 156.14 24.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.376 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.92 149.78 30.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.067 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.967 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.43 -101.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.625 1.203 . . . . 0.0 108.012 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.683 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.61 117.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 108.325 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.507 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 47.6 t0 -47.92 176.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.507 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -70.79 -1.19 10.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.4 m-85 -119.16 -11.49 9.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.62 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.6 t 36.93 59.87 1.02 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.6 m -58.21 175.3 0.23 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -73.06 -2.83 22.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.765 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.2 mmp_? -77.79 5.44 9.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.43 -124.73 7.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.098 . . . . 0.0 111.039 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.967 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.3 OUTLIER -97.1 -168.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.596 0.821 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.793 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.98 -162.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.185 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.116 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.59 75.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.659 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.7 mt-10 -90.14 68.54 7.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.953 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.65 -178.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.21 -147.22 14.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.42 1.075 . . . . 0.0 111.088 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.746 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.8 m -111.87 155.2 24.02 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.8 144.96 4.3 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.525 1.141 . . . . 0.0 109.212 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.92 -47.22 68.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 46' ' ' ALA . 22.6 p -160.41 161.49 33.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.628 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.74 97.81 0.12 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 108.311 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 1.02 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.0 Cg_endo -75.02 -3.92 14.64 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.646 1.866 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.36 139.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.858 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.27 -114.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.387 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.858 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 2.3 mptt -156.75 -52.37 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.734 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.04 -106.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.875 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.54 -53.24 5.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.735 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.8 mt-10 -36.31 73.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.875 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -87.28 91.04 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.02 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.67 158.23 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.511 HG22 ' H ' ' A' ' 59' ' ' CYS . 2.8 m -127.55 -146.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.628 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.8 m -152.12 171.45 17.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 108.212 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.07 114.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.351 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.491 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 22.9 p -109.95 -34.29 6.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.955 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.78 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.68 165.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.435 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.9 103.53 2.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.463 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 18.9 mttm 65.23 51.84 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -100.34 27.16 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 108.312 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 1.023 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.59 9.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.023 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -75.01 69.28 5.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.405 1.74 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.119 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.6 p80 -37.92 158.13 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.609 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.659 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.04 104.32 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 1.119 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.53 -38.19 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.673 HE21 ' HZ2' ' A' ' 70' ' ' LYS . 42.5 mt-30 -61.16 59.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.658 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -92.21 -50.44 0.3 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 110.234 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.691 ' CB ' ' CE2' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.9 -162.43 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.546 1.814 . . . . 0.0 111.01 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.04 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . 0.582 ' H2 ' ' HB3' ' B' ' 14' ' ' ASP . 15.6 m-70 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.704 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -163.4 168.17 20.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.221 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.961 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.92 48.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 110.99 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.765 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.0 m-85 -59.42 -165.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.36 40.84 1.53 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . 0.41 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 7.7 t -148.8 -7.72 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.069 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.595 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 19.1 t -170.9 167.42 7.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 110.051 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 1.121 HD21 ' CD1' ' A' ' 11' ' ' ILE . 2.0 tm? -127.13 -22.33 3.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.231 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' B' ' 11' ' ' TRP . 4.0 mm-40 -80.53 144.97 57.9 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.512 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.08 22.62 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.798 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' TRP . . . . . 0.615 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 5.0 t-105 -124.49 -38.21 2.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.733 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 28.9 m-85 -90.37 -35.78 0.39 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 111.066 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.733 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.1 Cg_endo -75.04 -39.64 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.571 1.827 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.582 ' HB3' ' H2 ' ' B' ' 1' ' ' HIS . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' A' ' 22' ' ' LEU . 25.4 pt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.598 HG13 ' N ' ' A' ' 15' ' ' THR . 2.7 t -123.24 156.09 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.892 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.0 149.98 36.08 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.55 1.156 . . . . 0.0 108.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.891 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.1 m-70 -84.6 145.6 27.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.609 1.193 . . . . 0.0 109.621 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -112.19 114.8 27.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.605 1.191 . . . . 0.0 110.361 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.865 HG23 ' CG1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -101.57 -22.68 14.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.367 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -79.42 -51.0 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -105.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.858 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -62.48 -161.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.053 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.858 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.1 Cg_endo -74.99 -55.25 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.404 1.739 . . . . 0.0 111.035 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.951 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.1 OUTLIER 165.94 100.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.377 1.048 . . . . 0.0 109.365 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.434 ' O ' HG13 ' A' ' 14' ' ' VAL . 53.7 p -152.01 139.84 19.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.891 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.33 97.69 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.5 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -124.91 128.77 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.386 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.598 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.1 m -47.53 143.24 3.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 110.363 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.758 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.21 178.32 1.29 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.713 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.6 Cg_endo -74.97 -175.34 2.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.713 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.05 116.38 4.56 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.494 1.786 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.512 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 151.76 -55.43 0.46 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.655 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 43.0 mp0 -67.06 105.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 110.264 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -85.92 6.38 28.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.37 1.044 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.95 -171.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.191 . . . . 0.0 109.295 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.892 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.43 -171.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.354 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.541 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.6 p90 -167.37 167.43 13.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.967 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.902 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -136.33 99.06 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.777 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.4 155.76 24.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.6 mtt -149.72 149.37 30.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 111.07 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.964 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.38 -101.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.17 119.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.399 1.062 . . . . 0.0 108.301 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.523 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 40.2 t0 -47.71 177.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.84 -0.38 13.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.2 m-85 -120.82 -10.39 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.587 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 4.6 t 37.5 61.34 1.0 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.474 1.109 . . . . 0.0 108.252 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.1 m -59.85 174.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 109.924 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.2 m -72.67 -3.27 23.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.051 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.77 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 2.0 mmp_? -77.22 4.75 9.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.84 -124.15 7.0 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.601 1.188 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.964 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -97.25 -168.92 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.802 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -104.48 -161.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.61 1.194 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.16 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.98 76.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.677 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.5 mt-10 -91.11 68.66 6.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.963 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.54 -176.93 0.51 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.36 -146.92 14.4 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.512 1.133 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.758 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.8 m -112.41 156.13 23.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.436 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.65 144.6 3.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.594 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.27 -47.4 65.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.234 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 46' ' ' ALA . 28.3 p -160.3 162.04 33.46 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.412 1.07 . . . . 0.0 110.435 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.14 97.63 0.12 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 108.328 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 1.038 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.06 -4.66 15.72 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.21 139.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.409 1.068 . . . . 0.0 109.991 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.855 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.76 -114.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.855 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.15 -52.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.741 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.96 -107.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.882 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -82.39 -52.54 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.731 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.5 mt-10 -37.62 73.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.882 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -87.56 89.55 8.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.246 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.038 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.04 157.74 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.423 1.077 . . . . 0.0 109.392 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -127.34 -146.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 13.4 m -152.5 172.01 17.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 108.277 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.91 115.37 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 108.252 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.499 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 19.6 p -110.47 -34.74 6.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 110.038 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.23 164.9 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.33 104.02 2.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.08 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.487 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 35.4 mttt 64.86 50.96 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.253 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.33 27.39 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 108.291 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.991 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.37 10.77 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.991 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -75.06 69.83 5.5 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.406 1.74 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.16 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.3 p80 -37.36 156.15 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.574 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.7 ' C ' ' HD3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.0 103.27 1.7 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 1.086 ' CD ' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -163.76 -38.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.18 . . . . 0.0 109.355 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.681 HE21 ' HZ1' ' A' ' 70' ' ' LYS . 37.1 mt-30 -56.41 78.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.192 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.575 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -159.27 130.06 3.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 97.21 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . 0.876 ' H3 ' ' CB ' ' B' ' 14' ' ' ASP . 13.1 t-80 . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.697 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -164.63 175.43 9.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.847 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -117.73 40.36 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.77 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -56.9 175.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -90.6 41.63 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . 0.459 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 23.2 t -145.27 -15.74 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.97 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.628 ' OG ' ' HB2' ' B' ' 12' ' ' TYR . 11.5 t -164.98 171.65 13.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.091 . . . . 0.0 110.085 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.951 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.5 tm? -130.75 -19.85 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.483 ' C ' ' H ' ' B' ' 11' ' ' TRP . 3.5 mm-40 -84.9 144.39 41.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.519 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.5 Cg_endo -74.95 37.57 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.399 1.736 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' TRP . . . . . 0.688 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 10.0 t-105 -134.95 -40.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 107.958 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.778 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 10.9 m-30 -94.69 -32.01 0.28 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.778 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -75.0 -39.64 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.876 ' CB ' ' H3 ' ' B' ' 1' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.651 HD11 ' HA ' ' A' ' 22' ' ' LEU . 34.2 pt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.647 HG13 ' N ' ' A' ' 15' ' ' THR . 3.5 t -128.24 156.67 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.997 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.87 150.65 36.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 108.324 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.873 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.7 m-70 -85.08 146.17 27.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.583 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -112.2 114.34 27.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 110.322 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.966 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -102.8 -17.83 15.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.447 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.22 -49.38 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.61 -103.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 110.357 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.72 -161.49 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.99 -54.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.419 1.747 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.098 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.17 103.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.416 ' O ' HG13 ' A' ' 14' ' ' VAL . 48.7 p -154.33 139.22 17.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.471 1.107 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.873 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.83 101.44 5.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.586 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -129.28 126.68 64.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.647 ' N ' HG13 ' A' ' 2' ' ' VAL . 9.1 m -48.01 142.19 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.786 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.07 178.69 1.29 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 108.255 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.772 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.4 Cg_endo -74.95 -173.2 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.772 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 17.9 Cg_endo -75.07 115.15 4.19 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.445 1.761 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.504 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.5 -55.72 0.44 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.518 1.136 . . . . 0.0 111.114 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.645 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 40.4 mp0 -67.39 104.47 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 110.356 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -84.74 5.95 26.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.43 -170.48 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.997 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.92 -170.35 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 108.312 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.528 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.9 p90 -168.42 168.08 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.952 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.941 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -137.0 99.17 3.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.773 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.6 155.5 24.41 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.419 1.075 . . . . 0.0 109.432 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -148.94 152.13 35.83 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.598 1.186 . . . . 0.0 111.087 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.957 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.02 -101.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 107.973 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.659 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.75 120.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.557 ' OD1' ' NE ' ' B' ' 2' ' ' ARG . 41.3 t0 -48.63 177.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.23 -1.12 13.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.4 m-85 -118.11 -13.96 9.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 2.1 t 37.16 61.49 0.92 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 108.336 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.7 m -68.24 176.42 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.8 m -68.82 -6.45 26.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.951 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.762 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 7.1 mmm180 -71.55 2.93 4.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.73 -128.23 8.8 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.957 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -96.43 -168.49 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.734 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.795 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.77 -163.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.14 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.48 77.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.68 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.1 mt-10 -91.55 68.76 5.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.947 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.68 -178.68 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.02 -146.31 12.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.412 1.07 . . . . 0.0 111.081 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.786 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 4.7 m -112.54 155.84 23.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.46 144.44 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.0 -47.58 64.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.6 p -160.35 162.42 33.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.338 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.642 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.28 97.5 0.12 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 108.345 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 1.036 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -75.01 -4.58 15.61 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.54 1.811 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -24.95 139.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.581 1.176 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.858 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.64 -114.54 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.858 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.5 -52.43 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.738 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.1 Cg_endo -75.08 -106.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.416 1.745 . . . . 0.0 110.98 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.888 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.7 p90 -82.82 -53.05 6.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.739 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.6 mt-10 -36.52 73.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.888 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -87.04 90.42 8.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.036 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.6 t -98.21 157.6 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.528 HG22 ' H ' ' A' ' 59' ' ' CYS . 2.9 m -127.54 -148.15 0.37 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.405 1.066 . . . . 0.0 110.381 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.642 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.9 m -150.59 171.35 17.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 108.285 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.69 114.89 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 108.353 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.421 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 14.0 p -110.05 -35.48 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.887 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.781 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.28 166.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.414 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.52 103.52 2.99 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.596 1.185 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.478 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 20.6 mttm 65.41 51.18 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.95 27.91 5.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.15 . . . . 0.0 108.211 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.996 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.53 10.06 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.996 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -75.13 69.72 5.57 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.523 1.801 . . . . 0.0 111.041 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.14 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.7 p80 -37.96 157.55 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.516 1.135 . . . . 0.0 109.568 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.666 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -74.95 104.79 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 1.12 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.76 -43.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.572 HE21 ' HZ1' ' A' ' 70' ' ' LYS . 44.9 mt-30 -55.5 84.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.479 1.112 . . . . 0.0 110.356 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.702 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . 2.0 ttp180 -146.2 -61.33 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.393 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -74.98 83.82 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 73' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . 0.625 ' H2 ' ' C ' ' B' ' 14' ' ' ASP . 8.6 t60 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.696 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -168.38 166.94 12.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.966 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.48 49.16 1.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.94 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.762 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.5 m-85 -57.13 -165.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 1.0 OUTLIER -106.8 38.1 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . 0.504 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 33.9 t -146.41 -7.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.979 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.628 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 13.5 t -169.61 170.03 8.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 1.098 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -129.66 -20.23 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.395 1.059 . . . . 0.0 109.213 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.503 ' C ' ' H ' ' B' ' 11' ' ' TRP . 1.2 mm-40 -84.7 142.77 39.9 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.543 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -75.06 32.4 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.448 1.762 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' TRP . . . . . 0.627 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -129.96 -37.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 107.99 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 68.4 m-85 -96.14 -34.25 0.27 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 111.09 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -74.98 -42.59 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.625 ' C ' ' H2 ' ' B' ' 1' ' ' HIS . 4.5 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.634 HD11 ' HA ' ' A' ' 22' ' ' LEU . 28.5 pt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.642 HG13 ' N ' ' A' ' 15' ' ' THR . 3.2 t -126.87 154.63 37.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 109.364 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -143.78 149.85 37.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 108.266 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.9 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.4 m-70 -85.04 146.57 27.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.577 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -112.4 115.08 28.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.426 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.966 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.48 -17.69 15.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.408 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.598 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.5 -50.21 7.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.58 -103.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.859 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -64.08 -161.24 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.911 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.859 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.99 -55.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.424 1.749 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.105 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.55 102.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.235 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.414 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.4 p -153.35 138.62 17.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.9 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.93 101.05 5.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.571 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -129.38 126.43 63.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.168 . . . . 0.0 109.199 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.642 ' N ' HG13 ' A' ' 2' ' ' VAL . 6.6 m -46.67 142.71 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.358 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.77 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.18 178.63 1.27 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 108.255 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.757 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -75.01 -173.8 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.563 1.823 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.757 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.98 116.13 4.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.509 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.18 -57.1 0.43 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.389 1.055 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.642 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 38.9 mp0 -66.77 105.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.4 m120 -84.84 6.34 25.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.74 -171.01 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.47 -170.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.605 1.191 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.536 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.0 p90 -168.02 167.4 12.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.951 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.46 99.25 4.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.584 1.178 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.781 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.7 156.33 23.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.78 152.03 34.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.973 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.05 -101.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.109 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.644 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.16 120.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.311 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.552 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.8 t0 -49.53 178.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 109.198 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.56 -0.62 13.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.473 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.1 m-85 -119.61 -11.5 9.42 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.623 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.7 t 35.98 59.64 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 108.264 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -63.57 175.36 1.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 m -69.53 -5.05 21.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 109.931 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.807 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.1 mmm180 -73.45 3.09 6.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.91 -126.66 8.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.973 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -96.24 -169.29 1.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.767 . . . . 0.0 109.358 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.799 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.38 -163.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.131 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.06 76.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.209 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.682 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -91.79 69.87 5.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.603 1.189 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.951 HD23 ' HG2' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -67.65 -177.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.64 -146.86 13.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.77 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 6.1 m -112.39 154.25 26.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.74 145.11 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 47' ' ' THR . . . -53.01 -47.17 68.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 46' ' ' ALA . 24.1 p -160.23 162.37 33.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.96 97.63 0.13 Allowed Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.528 1.142 . . . . 0.0 108.243 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 1.042 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.96 -4.56 15.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.556 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -25.12 139.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.063 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.853 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.91 -114.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.853 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.52 -52.38 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.735 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.07 -106.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.896 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.23 -53.13 6.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.721 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.1 mt-10 -37.08 72.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.142 . . . . 0.0 110.344 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.896 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -87.11 89.93 8.17 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.574 1.171 . . . . 0.0 110.221 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.042 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.51 158.27 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.65 -146.03 0.32 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 10.9 m -152.8 171.91 17.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 108.336 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.15 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.89 116.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 108.28 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.414 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 18.5 p -111.23 -34.92 6.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.049 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.786 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.78 166.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.69 103.24 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.478 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 17.0 mttm 65.83 51.15 1.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 1.15 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -99.9 26.97 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.244 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 1.022 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.72 9.15 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.022 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -75.01 69.51 5.54 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.546 1.814 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.131 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.8 p80 -37.89 158.13 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.605 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.663 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -75.03 104.63 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.426 1.751 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 1.129 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.19 -40.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.556 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 45.5 mt-30 -60.99 66.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.656 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -115.71 -60.8 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.272 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.2 Cg_endo -74.98 107.79 2.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.579 ' C ' ' CE2' ' B' ' 12' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . 0.73 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 6.4 t-80 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.686 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -166.93 167.43 14.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.966 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.19 49.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.807 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -58.02 -165.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.2 OUTLIER -107.1 39.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . 0.499 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 12.2 t -149.33 -4.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.617 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 10.7 t -171.37 166.53 6.99 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.427 1.08 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 1.105 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -127.6 -20.79 3.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.0 mm-40 -83.28 143.4 44.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.478 ' CB ' ' HA ' ' B' ' 1' ' ' HIS . 18.0 Cg_endo -75.11 26.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.571 1.827 . . . . 0.0 110.987 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' TRP . . . . . 0.611 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -126.96 -35.2 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 108.002 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.747 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 48.6 m-85 -95.93 -34.93 0.27 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.747 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.6 Cg_endo -74.93 -38.02 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.808 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.73 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 2.4 t0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.569 HD11 ' HA ' ' A' ' 22' ' ' LEU . 27.4 pt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' ' 15' ' ' THR . 2.7 t -123.87 154.5 30.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -143.54 149.71 37.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 108.284 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.884 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 20.5 m-70 -84.96 145.0 27.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.604 1.19 . . . . 0.0 109.568 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -110.84 115.35 29.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.969 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.52 -17.65 15.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.601 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.57 -49.98 8.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 109.368 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.02 -103.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.852 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.45 -161.56 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.962 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.852 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.0 Cg_endo -75.08 -54.68 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.466 1.772 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.114 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.87 103.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.454 ' O ' HG13 ' A' ' 14' ' ' VAL . 53.6 p -155.03 138.46 15.88 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.884 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -75.72 97.59 3.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.51 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -124.15 129.2 74.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 109.198 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.585 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.4 m -48.38 143.14 5.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.751 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.33 177.85 1.42 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.074 . . . . 0.0 108.25 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.728 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -74.98 -174.8 2.06 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.475 1.776 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.728 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -74.99 116.69 4.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.531 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 151.57 -56.35 0.45 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.67 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 11.0 mp0 -66.14 104.86 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -85.11 5.68 28.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.632 1.207 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.38 -170.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.373 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -103.94 -171.13 1.88 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.538 1.149 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.546 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.4 p90 -167.3 167.79 13.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.568 1.168 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.942 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.74 99.09 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 110.312 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.783 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.26 156.24 24.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.482 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -149.87 151.51 33.58 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.967 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -168.39 -100.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 108.013 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.26 118.8 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 108.317 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.547 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.2 t0 -48.47 177.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.02 -0.68 12.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.485 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.9 m-85 -120.61 -9.71 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.611 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.1 t 35.08 61.42 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 108.398 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.5 m -61.18 175.74 0.51 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 m -72.46 -2.53 19.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.993 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.794 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 1.4 mmp_? -77.43 5.52 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 110.206 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.15 -124.56 7.08 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.488 1.118 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.967 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -97.91 -169.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.368 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.806 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -103.49 -163.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.12 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.06 76.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.678 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -91.22 69.21 6.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.223 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.96 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.87 -178.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 3' ' ' CYS . . . 159.1 -146.61 13.25 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 5.8 m -112.38 155.42 24.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.462 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.14 145.27 4.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.607 ' O ' HG23 ' A' ' 47' ' ' THR . . . -53.7 -46.6 70.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 46' ' ' ALA . 25.5 p -160.39 162.03 33.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.52 97.76 0.13 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 1.032 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -75.02 -4.38 15.31 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.558 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.26 139.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.59 1.181 . . . . 0.0 109.994 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.859 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.84 -114.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.415 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.859 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 1.7 mptt -156.75 -52.52 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.085 . . . . 0.0 109.356 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.732 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.97 -106.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.884 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.65 -52.68 6.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.581 1.175 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.733 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.7 mt-10 -37.41 73.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.884 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -87.49 90.36 8.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.032 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.6 t -97.83 157.94 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.5 m -127.12 -145.55 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.6 m -153.27 171.87 17.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.85 114.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 108.304 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.477 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 21.2 p -109.66 -33.56 6.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.779 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -50.32 166.41 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.57 104.15 3.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.471 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 36.4 mttt 64.48 51.59 1.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -100.09 27.0 5.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 1.02 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.85 9.05 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.236 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.02 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.7 Cg_endo -74.97 68.86 5.66 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.131 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.6 p80 -37.6 158.04 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 109.563 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.634 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.01 104.17 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.081 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 1.131 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.87 -38.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.568 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 44.1 mt-30 -61.76 61.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.636 ' N ' ' O ' ' A' ' 70' ' ' LYS . 7.7 ttt180 -102.49 -57.25 0.1 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.603 ' HB2' ' CD2' ' B' ' 12' ' ' TYR . 18.5 Cg_endo -74.99 53.08 3.22 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.48 1.779 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.96 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . 0.536 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 39.4 t60 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.71 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -175.74 166.64 3.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.969 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.47 49.08 1.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.794 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.0 m-85 -58.87 -164.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -107.74 41.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.9 -1.63 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.014 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.669 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 5.2 t -173.9 164.44 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 1.114 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -127.01 -21.49 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.497 ' C ' ' H ' ' B' ' 11' ' ' TRP . 2.9 mm-40 -83.11 143.41 45.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.393 1.058 . . . . 0.0 110.349 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.528 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -75.01 34.35 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' TRP . . . . . 0.68 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -134.02 -37.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.774 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 71.5 m-85 -95.29 -32.12 0.27 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.774 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.6 Cg_endo -74.98 -41.15 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.536 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.625 HD11 ' HA ' ' A' ' 22' ' ' LEU . 27.9 pt . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.608 HG13 ' N ' ' A' ' 15' ' ' THR . 3.4 t -124.12 157.47 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.914 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.9 m -145.81 149.97 35.33 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 0.0 108.316 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.886 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.7 m-70 -84.82 146.93 27.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 0.0 109.635 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -113.77 115.15 27.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.419 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.943 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.69 -23.11 14.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.07 . . . . 0.0 110.455 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -79.01 -51.18 9.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.1 -104.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.458 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -63.91 -161.24 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 110.076 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -75.05 -54.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.954 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.58 101.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.353 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.425 ' O ' HG13 ' A' ' 14' ' ' VAL . 62.5 p -152.69 140.23 19.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.886 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.8 99.61 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.554 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.1 127.73 71.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.608 ' N ' HG13 ' A' ' 2' ' ' VAL . 8.3 m -48.47 142.29 5.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.396 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.761 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -99.0 178.55 1.26 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 108.285 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.738 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.91 -174.47 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.523 1.801 . . . . 0.0 111.067 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.738 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.04 115.53 4.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.954 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.516 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 153.08 -56.93 0.43 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.629 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.8 mp0 -66.4 104.61 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.605 0.826 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.4 m120 -85.13 9.21 15.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.023 HD11 ' SG ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -175.99 -168.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.914 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -106.86 -171.05 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 108.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.534 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.4 p90 -166.14 167.68 16.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.881 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -137.12 99.46 4.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.372 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.765 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -83.12 155.53 23.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.6 mtt -149.83 148.61 29.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.965 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -165.51 -101.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.56 121.53 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 108.342 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.556 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 42.9 t0 -48.76 178.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.372 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.73 -0.44 13.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.242 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.8 m-85 -117.94 -16.13 9.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.644 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 2.0 t 37.3 61.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.317 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.0 m -73.41 176.96 5.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 37' ' ' GLY . 8.6 m -63.88 -10.04 18.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.788 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 8.0 mmm180 -67.31 -0.1 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 85.36 -129.3 9.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.965 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -95.16 -168.48 1.81 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.791 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -106.28 -161.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.166 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -154.21 77.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.689 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.4 mt-10 -92.51 68.36 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.984 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -65.95 -175.97 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.383 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.485 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.09 -148.55 18.42 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.761 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 8.0 m -109.93 154.95 22.38 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.69 143.29 2.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.592 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -51.26 -46.54 62.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.592 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 43.2 p -159.85 161.41 34.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.857 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.9 OUTLIER -37.89 99.36 0.18 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.291 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 1.031 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.02 0.68 8.62 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.578 1.831 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -27.02 140.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.951 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.863 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -95.5 -113.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.409 1.068 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.863 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -156.54 -52.75 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.37 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.722 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -75.01 -106.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.527 1.804 . . . . 0.0 111.069 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.902 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.17 -52.52 6.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.693 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.0 mt-10 -38.07 72.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.902 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -87.11 88.6 7.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.031 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.13 158.49 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.464 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 1.1 m -131.89 -155.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 1.023 ' SG ' HD11 ' A' ' 22' ' ' LEU . 1.2 m -140.47 176.64 8.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 108.246 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.197 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 177.06 112.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.278 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.487 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 9.3 p -108.11 -35.89 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.079 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.752 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.03 160.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.5 104.11 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.489 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 32.5 mttt 64.22 51.91 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.36 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 1.197 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.7 p -99.23 27.01 5.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 108.293 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.996 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.17 10.86 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.216 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.996 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -74.9 69.08 5.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.416 1.745 . . . . 0.0 111.036 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.166 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.4 p80 -37.75 157.16 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.644 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.633 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -74.96 103.25 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.434 1.755 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 1.133 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.68 -39.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.579 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 44.2 mt-30 -57.67 75.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.589 ' N ' ' O ' ' A' ' 70' ' ' LYS . 18.8 ttt85 -162.2 140.17 6.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.5 Cg_endo -74.98 105.87 2.17 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.608 1.846 . . . . 0.0 111.038 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . 0.682 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 3.4 t-160 . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.653 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -158.56 171.6 19.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.943 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -117.77 40.81 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 111.12 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.788 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.4 m-85 -52.45 -175.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 7.7 pt-20 -99.49 34.78 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . 0.503 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 19.3 t -144.43 2.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.922 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.726 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 22.3 t -179.0 166.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.954 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.1 tm? -126.6 -27.34 3.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 11' ' ' TRP . 0.7 OUTLIER -77.74 144.53 69.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 110.286 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.572 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -74.99 29.04 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.422 1.749 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' TRP . . . . . 0.628 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 2.5 t90 -128.5 -37.85 1.77 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.75 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 4.0 m-30 -94.53 -34.64 0.29 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.75 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.7 Cg_endo -74.88 -41.81 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.682 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' A' ' 22' ' ' LEU . 26.9 pt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.656 HG13 ' N ' ' A' ' 15' ' ' THR . 2.8 t -122.27 152.13 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.06 149.21 36.26 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.57 1.169 . . . . 0.0 108.395 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.936 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 20.7 m-70 -85.08 145.66 27.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.593 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -111.85 114.96 28.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.962 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.42 -17.67 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.414 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.611 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.54 -49.28 8.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.9 -104.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 110.446 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.849 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.16 -161.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.849 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -75.0 -54.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.13 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.77 102.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.2 p -152.75 138.91 18.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.936 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -78.28 103.37 8.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.218 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.612 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -130.95 127.3 61.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.656 ' N ' HG13 ' A' ' 2' ' ' VAL . 9.7 m -49.01 141.91 7.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.714 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.15 177.87 1.54 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 108.334 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.755 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.95 -173.43 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.755 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.5 Cg_endo -75.0 112.63 3.61 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.508 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 156.49 -57.37 0.38 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.664 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 3.6 mp0 -67.0 103.87 1.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -83.47 7.43 16.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -175.81 -171.39 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.416 1.073 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -103.77 -169.52 1.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.281 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.544 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 17.4 p90 -168.17 167.15 12.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.06 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.935 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.41 99.07 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.774 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.37 156.53 24.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.03 151.67 33.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.977 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -168.24 -101.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 107.984 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.679 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -177.0 118.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 108.25 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 46.7 t0 -48.81 176.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.612 1.195 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.512 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -71.3 -1.16 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.7 m-85 -119.13 -10.38 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.624 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.2 t 34.83 60.36 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 108.366 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.6 m -59.57 175.69 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.6 m -72.52 -2.01 18.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.091 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.775 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.8 mmp_? -78.09 5.12 10.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.13 -124.34 6.98 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.557 1.16 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.977 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 1.7 mmtt -97.69 -168.67 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.79 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.8 t -104.24 -164.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.124 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -152.4 76.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.679 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -90.85 68.56 6.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.948 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.62 -178.44 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 109.397 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.52 -146.49 12.93 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.723 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 5.6 m -112.0 155.65 23.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.493 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.8 144.83 3.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 109.388 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 47' ' ' THR . . . -53.53 -46.87 70.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 46' ' ' ALA . 27.8 p -159.95 162.83 34.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.61 1.194 . . . . 0.0 110.405 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -35.29 97.98 0.14 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 108.275 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 1.041 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.05 -4.01 14.76 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.58 1.832 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.555 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.54 139.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.956 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.851 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.94 -114.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.851 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.26 -52.49 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.739 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.03 -106.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 111.062 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.903 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.5 -53.37 5.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.408 1.068 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.726 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.3 mt-10 -36.51 72.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.903 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -86.71 89.99 8.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.041 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.33 158.55 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -127.62 -144.98 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.6 m -153.66 172.0 17.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.325 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.77 115.07 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 108.255 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.2 p -110.31 -34.44 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.048 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.22 165.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.42 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.52 102.28 2.66 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HG2' ' CB ' ' A' ' 13' ' ' ALA . 37.7 mttt 67.37 51.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -100.38 26.79 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 108.281 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 1.01 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.48 8.58 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 1.01 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.6 Cg_endo -74.86 69.87 5.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.393 1.733 . . . . 0.0 110.965 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.124 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.9 p80 -38.53 158.01 0.1 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.634 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.68 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 17.9 Cg_endo -75.14 105.43 2.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 1.112 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.95 -40.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.703 HE21 ' HZ1' ' A' ' 70' ' ' LYS . 39.7 mt-30 -56.92 77.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.255 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 70' ' ' LYS . 20.5 ttm-85 -166.02 138.71 3.3 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.153 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 107.06 2.4 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.054 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.956 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . 0.767 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.718 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -173.89 168.95 4.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.216 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.962 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.93 48.55 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.637 1.211 . . . . 0.0 110.962 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.775 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.2 m-85 -59.66 -165.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 1.092 . . . . 0.0 110.983 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.51 41.37 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -149.16 -9.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.972 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.615 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 12.3 t -167.93 168.98 11.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 1.13 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -129.99 -16.16 3.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.49 ' C ' ' H ' ' B' ' 11' ' ' TRP . 55.4 mm-40 -88.09 144.21 34.13 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.527 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.3 Cg_endo -74.97 36.54 0.44 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' TRP . . . . . 0.679 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.5 t90 -135.14 -38.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.001 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.768 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 7.8 m-30 -94.75 -32.36 0.28 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.768 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.99 -42.49 0.5 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.559 1.821 . . . . 0.0 110.967 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.767 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.626 HD11 ' HA ' ' A' ' 22' ' ' LEU . 30.4 pt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.603 HG13 ' N ' ' A' ' 15' ' ' THR . 3.5 t -124.1 156.68 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.192 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.878 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.07 150.41 36.79 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.45 1.094 . . . . 0.0 108.309 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.891 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.7 m-70 -84.89 147.41 26.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.591 1.182 . . . . 0.0 109.56 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -114.46 114.64 26.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.475 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.938 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.03 -23.57 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.403 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.531 ' HB2' ' OE1' ' A' ' 41' ' ' GLU . . . -78.36 -51.37 10.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.48 -105.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.534 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.843 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -61.96 -161.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.843 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -75.11 -54.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.96 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.3 100.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 14' ' ' VAL . 57.0 p -153.44 140.86 19.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.021 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.891 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.01 100.89 5.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.558 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.7 127.68 70.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.603 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.9 m -48.18 142.4 5.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.739 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -99.76 178.33 1.3 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 108.329 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.738 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -75.01 -174.39 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.738 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.93 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.547 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.62 -57.25 0.43 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.594 1.184 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.634 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.6 mp0 -65.86 104.46 1.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.535 0.785 . . . . 0.0 110.46 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -85.28 9.65 14.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.019 HD11 ' SG ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -176.45 -167.39 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.878 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -107.62 -171.33 1.85 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.456 1.097 . . . . 0.0 108.342 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.549 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.2 p90 -165.78 168.52 15.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.874 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -137.87 99.24 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.175 . . . . 0.0 110.317 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.778 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -82.61 155.78 24.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.383 1.052 . . . . 0.0 109.349 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.489 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.7 mtt -149.95 149.5 30.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.961 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -166.28 -100.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 107.981 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.38 121.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 108.298 -179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.552 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 43.7 t0 -48.83 177.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.67 -1.77 17.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.7 m-85 -119.1 -11.42 9.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.614 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.1 t 36.7 61.32 0.86 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 108.295 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.4 m -65.26 175.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.041 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.5 m -69.84 -5.39 25.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.811 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 4.7 mmm180 -73.31 3.58 5.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.66 -127.56 8.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.432 1.083 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.961 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -95.82 -167.93 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.796 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -105.21 -161.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.164 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -154.3 77.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.692 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.3 mt-10 -92.4 69.05 5.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.992 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.69 -175.75 0.42 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.05 -147.98 17.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.564 1.165 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.739 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 7.4 m -110.29 155.0 22.67 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -170.94 142.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.598 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -50.74 -46.34 59.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.598 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 41.9 p -160.06 161.02 33.82 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.84 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -37.52 99.26 0.18 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.167 . . . . 0.0 108.272 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 1.03 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -74.96 0.79 8.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -26.7 139.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.083 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.848 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.75 -114.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.848 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.15 -53.13 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.719 ' HD3' ' HB2' ' A' ' 52' ' ' LYS . 18.1 Cg_endo -75.04 -106.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.903 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.4 p90 -82.46 -52.49 6.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.699 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 19.2 mt-10 -38.31 72.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.903 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -87.35 88.8 7.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.03 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.89 159.08 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.499 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 1.4 m -132.06 -155.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.444 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 1.019 ' SG ' HD11 ' A' ' 22' ' ' LEU . 1.2 m -140.96 175.81 9.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 108.358 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.205 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 177.45 111.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.369 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 8.8 p -108.12 -35.22 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.082 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.754 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.97 160.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.433 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.83 104.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 30.3 mttt 63.99 52.22 2.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.217 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 1.205 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.8 p -99.73 27.61 5.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 0.0 108.32 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.995 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -110.08 10.92 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.995 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.1 Cg_endo -74.96 69.41 5.53 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.53 1.805 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.164 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.6 p80 -38.93 157.82 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.638 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.614 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.99 103.73 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 1.16 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -159.87 -39.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.593 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 45.6 mt-30 -58.33 75.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.579 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -157.59 132.57 5.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 110.29 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 95.49 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.445 1.761 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 110.957 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . 0.767 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 6.5 m-70 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.665 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -171.3 171.87 5.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.631 1.207 . . . . 0.0 110.344 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.938 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -118.87 42.09 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 111.064 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.811 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.2 m-85 -54.23 -171.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -102.7 38.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . 0.481 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 29.0 t -154.18 13.6 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.841 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 13.2 t 171.77 159.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.928 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.96 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.2 tm? -123.55 -27.17 4.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.509 ' C ' ' H ' ' B' ' 11' ' ' TRP . 0.4 OUTLIER -75.73 145.63 78.69 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.498 ' CB ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.05 23.7 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.503 1.791 . . . . 0.0 110.986 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' TRP . . . . . 0.635 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -126.12 -36.99 2.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.75 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.7 m-30 -92.47 -34.51 0.34 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 111.05 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.75 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -74.96 -40.63 0.85 Allowed 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 124.526 1.803 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.767 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.634 HD11 ' HA ' ' A' ' 22' ' ' LEU . 29.3 pt . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.625 HG13 ' N ' ' A' ' 15' ' ' THR . 3.1 t -126.97 155.66 37.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.902 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.17 149.27 34.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 108.26 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.883 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 20.6 m-70 -84.18 146.22 27.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.632 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -112.31 115.63 29.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.952 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.83 -17.77 14.92 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.126 . . . . 0.0 110.356 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.595 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.47 -49.6 8.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.31 -103.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.855 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.98 -161.52 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.921 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.855 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.5 Cg_endo -74.83 -54.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.59 1.837 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.085 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.08 103.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.2 p -154.37 139.29 17.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.883 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.78 99.96 5.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.374 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.559 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.86 127.28 67.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.625 ' N ' HG13 ' A' ' 2' ' ' VAL . 6.7 m -47.5 142.75 4.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.778 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.4 178.68 1.25 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 108.26 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.752 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.6 Cg_endo -74.89 -174.09 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.424 1.75 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.752 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.05 114.98 4.15 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.455 1.766 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.517 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 153.13 -56.36 0.43 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.572 1.17 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.673 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 40.5 mp0 -66.97 104.6 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 0.73 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -84.49 5.38 27.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -172.85 -170.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.226 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.902 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.2 -170.21 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 108.263 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.54 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.0 p90 -168.54 167.21 11.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.947 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.23 99.52 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.771 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.89 156.51 23.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.87 152.28 34.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.973 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.39 -101.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 107.996 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.641 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.71 120.21 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 108.334 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.546 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 43.2 t0 -49.14 178.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.31 -1.13 14.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.1 m-85 -118.11 -13.5 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.659 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 1.9 t 36.26 60.58 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 108.352 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.2 m -67.45 175.89 2.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 37' ' ' GLY . 15.1 m -67.44 -6.68 20.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.787 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 6.1 mmm180 -71.34 3.73 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 85.03 -126.16 7.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.973 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -97.72 -168.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.803 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -104.95 -162.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.132 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.44 76.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.682 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -91.46 69.56 5.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.272 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.96 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -67.18 -177.82 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.43 -147.29 14.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.778 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.4 m -111.96 154.08 25.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -166.4 145.31 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.379 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 47' ' ' THR . . . -53.2 -47.24 69.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 46' ' ' ALA . 27.1 p -160.47 161.47 32.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.83 97.54 0.12 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 108.291 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 1.035 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.6 Cg_endo -74.97 -4.64 15.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.564 1.823 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.02 138.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.989 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.866 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.35 -114.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.866 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -156.75 -52.39 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.734 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.96 -106.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.395 1.734 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.887 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.07 -53.1 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.731 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -37.0 73.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.887 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -87.11 90.41 8.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.248 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.035 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.01 158.34 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.95 -146.32 0.32 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.516 1.135 . . . . 0.0 110.477 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.3 m -152.56 171.84 17.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.323 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.94 115.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 108.33 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.415 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 9.8 p -110.21 -34.28 6.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.982 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.78 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.27 166.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.395 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.15 102.46 3.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.48 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 31.9 mttt 66.88 51.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.208 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -99.82 27.51 5.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 108.33 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.996 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.28 9.8 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.996 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -74.9 68.67 5.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.156 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -38.09 157.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.616 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.96 104.36 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.376 1.724 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 1.156 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -159.67 -38.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.592 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 43.5 mt-30 -62.31 59.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.639 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -98.14 -49.48 0.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.6 Cg_endo -74.93 159.61 41.36 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.557 1.819 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . 0.537 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 2.2 t60 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.693 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER 177.11 165.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.952 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -115.32 50.01 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.787 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.1 m-85 -59.1 -164.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.6 OUTLIER -107.12 38.18 2.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.616 1.197 . . . . 0.0 110.283 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . 0.426 ' HB3' ' NE ' ' A' ' 36' ' ' ARG . 32.8 t -153.05 6.09 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 110.028 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.793 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 1.3 t -179.21 162.13 1.17 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.108 . . . . 0.0 109.975 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 1.085 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -126.34 -23.71 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' B' ' 11' ' ' TRP . 2.2 mm-40 -83.08 143.21 45.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.493 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -74.97 36.99 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.433 1.754 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' TRP . . . . . 0.697 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -136.46 -37.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 107.984 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.785 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.5 m-85 -96.93 -30.67 0.26 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.785 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -74.93 -43.99 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.545 1.813 . . . . 0.0 111.044 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.537 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.348 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.627 HD11 ' HA ' ' A' ' 22' ' ' LEU . 25.8 pt . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.625 HG13 ' N ' ' A' ' 15' ' ' THR . 2.5 t -124.08 153.99 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.79 149.74 35.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 0.0 108.271 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.894 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.6 m-70 -84.33 145.68 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 109.607 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -113.09 114.75 27.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.405 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.879 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.23 -24.43 14.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.572 1.17 . . . . 0.0 110.484 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.528 ' HB2' ' OE1' ' A' ' 41' ' ' GLU . . . -77.5 -50.66 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.95 -104.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.399 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.14 -161.27 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.582 1.176 . . . . 0.0 110.036 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.97 -55.13 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.421 1.748 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.911 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.1 OUTLIER 165.9 100.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.27 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.409 ' O ' HG13 ' A' ' 14' ' ' VAL . 55.6 p -151.26 139.99 20.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.969 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.894 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.25 100.08 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.517 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.5 128.3 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.625 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.3 m -47.37 143.27 3.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 0.0 110.461 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.757 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.0 177.61 1.5 Allowed Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.537 1.148 . . . . 0.0 108.303 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.731 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.98 -174.54 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.731 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 17.9 Cg_endo -75.1 116.11 4.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.536 1.809 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.498 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.75 -57.09 0.43 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.64 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 37.6 mp0 -67.17 105.65 1.77 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 0.773 . . . . 0.0 110.277 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -85.19 6.01 27.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.766 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.22 -170.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -104.04 -170.52 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.532 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.7 p90 -167.56 167.84 13.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.386 1.054 . . . . 0.0 111.068 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.871 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.79 98.65 3.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.253 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.769 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.36 155.44 24.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.439 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.7 mtt -149.75 149.27 30.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.95 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -165.58 -101.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.78 119.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 108.224 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 44.7 t0 -48.26 175.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.506 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -70.58 -2.28 13.72 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.422 1.076 . . . . 0.0 109.218 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' CYS . 4.5 m-85 -117.9 -12.73 10.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.624 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.3 t 38.4 60.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.6 m -59.17 175.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.8 m -74.26 -0.86 18.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.752 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 2.3 mmp_? -79.2 5.69 11.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.347 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.79 -125.93 7.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 111.059 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.95 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.7 OUTLIER -97.13 -168.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.79 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.79 -161.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.17 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.75 77.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.684 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.2 mt-10 -92.08 67.85 5.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.585 1.178 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.967 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.1 -176.92 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.27 -147.43 15.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.757 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 6.6 m -111.97 154.79 24.75 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.35 144.16 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.18 -46.91 65.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 46' ' ' ALA . 27.4 p -160.38 163.15 33.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.421 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -35.72 97.85 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 108.301 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 1.055 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -4.58 15.62 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.328 1.699 . . . . 0.0 110.951 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.561 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -24.98 139.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 109.95 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.85 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.97 -114.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.6 1.187 . . . . 0.0 109.266 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.85 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 1.8 mptt -156.33 -52.44 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.737 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.95 -106.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.451 1.764 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.907 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.15 -52.45 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.734 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.0 mt-10 -37.4 72.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.232 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.907 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -86.65 90.36 8.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.055 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.84 158.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.55 -145.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.47 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 10.4 m -152.88 171.95 17.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 108.333 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.77 114.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.431 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 6.9 p -109.75 -35.18 6.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.783 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.68 165.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.544 1.152 . . . . 0.0 110.356 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.01 103.3 3.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 109.252 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 32.7 mttt 66.41 50.41 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.41 27.25 5.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 108.315 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.991 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.24 11.24 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.991 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.98 70.17 5.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.17 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.5 p80 -37.27 156.87 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.554 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.688 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 17.9 Cg_endo -75.01 103.15 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.513 1.797 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 1.082 ' CD ' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -163.31 -40.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.742 HE21 ' HZ1' ' A' ' 70' ' ' LYS . 34.1 mt-30 -53.53 80.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.595 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -166.69 134.21 2.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.475 ' HA ' ' CE2' ' B' ' 12' ' ' TYR . 18.0 Cg_endo -75.02 116.69 4.66 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 0.0 111.052 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . 0.649 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 11.5 t60 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.658 ' NH1' ' CE2' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -160.89 172.45 16.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.175 . . . . 0.0 110.254 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.879 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -117.57 41.38 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.752 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.1 m-85 -56.5 175.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.389 1.056 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -88.76 40.33 0.97 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 36.2 t -143.29 -12.22 0.72 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.606 1.191 . . . . 0.0 110.088 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.638 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 41.5 t -170.37 170.63 7.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.911 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.4 tm? -126.09 -26.36 3.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 11' ' ' TRP . 17.9 mm-40 -81.17 144.88 55.11 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 110.351 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.58 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -74.99 26.86 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.517 1.799 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' TRP . . . . . 0.592 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.2 OUTLIER -125.38 -37.54 2.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 108.064 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.736 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 6.5 m-85 -95.09 -35.83 0.28 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.736 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.5 Cg_endo -75.08 -38.05 1.72 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.649 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 2.1 t70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.604 HD11 ' HA ' ' A' ' 22' ' ' LEU . 27.2 pt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.643 HG13 ' N ' ' A' ' 15' ' ' THR . 2.9 t -122.94 153.05 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.868 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.32 149.45 36.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 108.269 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.902 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.3 m-70 -84.56 145.73 27.91 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.385 1.053 . . . . 0.0 109.703 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -111.89 115.04 28.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.373 1.046 . . . . 0.0 110.375 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.967 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.29 -18.35 14.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.599 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -83.91 -49.82 8.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -103.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.349 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.96 -161.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.0 Cg_endo -75.07 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.097 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.99 102.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.2 p -152.71 139.23 18.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.923 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.902 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.96 102.38 7.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.348 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.588 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -130.33 126.72 61.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 0.0 109.257 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.643 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.3 m -47.95 142.25 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.175 . . . . 0.0 110.351 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.733 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.28 178.28 1.41 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.318 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.76 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.0 Cg_endo -75.15 -173.5 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.76 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.07 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.503 1.791 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.519 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 154.91 -57.27 0.4 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.65 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.0 mp0 -66.95 103.89 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -83.6 6.49 20.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.757 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -174.42 -171.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.868 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -102.99 -169.5 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.193 . . . . 0.0 108.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.537 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.2 p90 -168.59 167.5 11.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.595 1.184 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.949 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.58 99.05 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.233 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.77 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.39 156.31 24.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -149.77 152.73 35.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.951 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.17 -100.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.655 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.47 118.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.147 . . . . 0.0 108.273 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.569 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 46.2 t0 -47.2 175.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.06 -0.39 9.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.376 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.6 m-85 -121.39 -10.91 8.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.58 1.175 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.607 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.4 t 38.27 61.79 1.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 108.302 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -61.33 175.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.5 m -73.02 -3.36 25.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.965 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.801 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.0 mmp_? -77.07 6.68 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.49 -125.26 7.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.113 . . . . 0.0 111.063 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.951 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -97.26 -168.93 1.77 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.481 0.754 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.797 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.5 -163.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.139 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -152.93 76.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.686 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.1 mt-10 -91.42 68.56 5.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.949 HD23 ' HG2' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -66.41 -178.08 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.371 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.83 -146.69 13.46 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.739 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 5.1 m -112.54 154.88 25.27 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.69 144.6 4.29 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.595 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.33 -47.46 66.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 46' ' ' ALA . 25.1 p -160.1 162.61 34.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.7 97.71 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.265 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 1.024 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -74.99 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.573 1.828 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.56 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.07 139.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.971 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.841 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.9 -115.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.841 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.08 -52.4 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.741 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -75.01 -106.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.432 1.754 . . . . 0.0 110.993 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.887 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.35 -53.64 5.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.733 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -36.08 73.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.887 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -86.98 89.83 8.13 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.6 1.187 . . . . 0.0 110.294 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.024 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.4 157.96 3.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.34 -145.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.5 m -153.49 172.38 17.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 108.306 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.162 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.15 114.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 108.269 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.423 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 14.7 p -109.09 -35.19 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.08 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.785 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.47 165.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.374 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.97 102.66 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.4 mttm 67.14 50.56 0.99 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.61 1.194 . . . . 0.0 109.306 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 1.162 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.89 27.23 5.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.997 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.84 9.54 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.997 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -75.01 69.2 5.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.544 1.812 . . . . 0.0 110.984 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.139 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.8 p80 -37.42 157.72 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.581 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.655 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.1 Cg_endo -75.06 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.41 1.742 . . . . 0.0 110.94 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 1.105 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.53 -44.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.521 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 46.7 mt-30 -56.48 83.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.684 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . 1.8 ttt-85 -143.97 -61.47 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.684 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.3 Cg_endo -75.01 61.23 5.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.772 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' B' ' 9' ' ' GLU . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.536 1.147 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . 0.618 ' H2 ' ' CB ' ' B' ' 14' ' ' ASP . 13.4 t-80 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.673 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -159.52 167.2 29.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.967 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.89 49.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 1.07 . . . . 0.0 111.069 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.801 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -58.53 -166.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.92 40.1 1.65 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 38.4 t -146.64 -10.83 0.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.44 1.088 . . . . 0.0 110.065 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.622 ' OG ' ' HB2' ' B' ' 12' ' ' TYR . 29.1 t -167.34 170.82 11.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 1.097 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.6 tm? -129.44 -18.38 3.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 11' ' ' TRP . 5.2 mm-40 -86.08 143.48 37.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.554 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.03 29.3 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' TRP . . . . . 0.607 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.6 t90 -126.8 -37.96 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 108.019 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.737 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 49.3 m-85 -94.54 -35.53 0.3 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.737 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.7 Cg_endo -74.92 -40.38 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.767 . . . . 0.0 111.061 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.618 ' CB ' ' H2 ' ' B' ' 1' ' ' HIS . 2.2 t0 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ILE . . . . . 0.62 HD11 ' HA ' ' A' ' 22' ' ' LEU . 27.5 pt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.608 HG13 ' N ' ' A' ' 15' ' ' THR . 3.1 t -123.79 156.02 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.898 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.75 150.44 37.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 108.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.89 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.0 m-70 -84.96 146.95 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -114.51 115.15 26.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.884 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.22 -24.53 14.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.337 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.506 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -77.57 -51.2 11.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -104.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.472 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.85 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.1 -161.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.978 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.85 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.95 -54.83 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.504 1.791 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.909 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.1 OUTLIER 165.79 100.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.41 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.6 p -152.69 141.16 20.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.89 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.58 99.86 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.542 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -125.78 127.45 71.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.608 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.8 m -47.01 142.92 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.454 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.743 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.86 177.65 1.46 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 108.299 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.737 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.4 Cg_endo -75.0 -174.32 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.737 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -75.11 117.26 4.82 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.527 1.803 . . . . 0.0 110.969 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.528 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 151.28 -57.22 0.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.665 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 3.7 mp0 -66.12 104.45 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 110.326 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -85.11 9.32 15.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 1.025 HD11 ' SG ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -176.48 -168.28 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.632 1.208 . . . . 0.0 109.252 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.898 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -106.38 -170.76 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 108.345 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.538 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 17.3 p90 -166.35 168.06 15.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.86 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -137.48 100.39 4.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.777 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -84.45 155.38 22.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.335 1.022 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.456 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.6 mtt -149.54 150.24 31.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.97 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.26 -101.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 108.112 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.665 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.09 120.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.51 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 45.1 t0 -48.99 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.51 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -69.89 -3.03 14.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.474 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.7 m-85 -115.28 -14.14 11.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 111.043 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.657 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 1.7 t 35.59 61.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.384 1.052 . . . . 0.0 108.364 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.7 m -67.28 176.58 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -68.72 -5.4 20.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.771 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 5.3 mmm180 -72.6 2.7 5.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.33 -127.03 8.13 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.444 1.09 . . . . 0.0 111.017 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.97 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.3 OUTLIER -97.34 -168.62 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 0.799 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.787 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -105.7 -162.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 1.173 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.29 77.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.539 1.149 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.686 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.4 mt-10 -92.31 67.77 4.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 110.272 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.962 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -65.58 -175.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 156.57 -148.3 18.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.559 1.162 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . 0.743 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 8.4 m -110.14 155.75 21.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.477 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -171.5 143.52 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.373 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.59 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -51.31 -46.73 62.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.59 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 40.6 p -159.76 161.61 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.856 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.9 OUTLIER -37.68 99.28 0.18 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.592 1.183 . . . . 0.0 108.326 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 1.034 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.08 0.89 8.39 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.409 1.742 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.546 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -26.87 140.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.839 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -95.25 -114.15 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.839 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -155.99 -52.87 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.723 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.0 -106.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.909 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -82.79 -52.88 6.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 111.052 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.702 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -37.39 72.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.909 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.1 OUTLIER -86.81 88.5 7.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.188 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.034 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.15 158.42 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.466 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 1.3 m -131.76 -154.43 0.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' CYS . . . . . 1.025 ' SG ' HD11 ' A' ' 22' ' ' LEU . 1.2 m -141.43 176.64 8.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 108.27 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 176.63 112.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.097 . . . . 0.0 108.289 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.489 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 8.7 p -109.0 -36.09 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 109.927 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.778 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -47.67 162.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.366 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.74 104.14 1.58 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.218 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.504 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 17.8 mttm 64.1 51.24 2.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.7 p -98.45 26.95 5.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 108.368 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.992 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.84 11.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.992 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -74.93 70.53 5.22 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 1.173 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.4 p80 -37.68 156.41 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.551 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.695 ' C ' ' HD3' ' A' ' 70' ' ' LYS . 18.1 Cg_endo -75.06 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.569 1.826 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 1.086 ' CD ' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -163.29 -39.78 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.61 HE21 ' HZ1' ' A' ' 70' ' ' LYS . 34.0 mt-30 -52.26 80.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 70' ' ' LYS . 2.3 ttm-85 -165.49 132.19 2.18 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.59 ' HA ' ' CE2' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.89 114.19 3.97 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.51 1.795 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.917 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' HIS . . . . . 0.647 ' H2 ' ' CB ' ' B' ' 14' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' ARG . . . . . 0.659 ' NH1' ' CE2' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -158.99 173.69 16.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.884 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -118.4 40.3 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' TYR . . . . . 0.771 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.2 m-85 -54.47 177.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 2.3 pt-20 -91.53 34.48 0.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' SER . . . . . 0.488 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 36.0 t -138.58 -6.84 1.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.644 1.215 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.629 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 42.2 t -174.52 170.48 3.5 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.459 1.099 . . . . 0.0 109.93 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.909 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.4 tm? -126.96 -26.4 3.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 11' ' ' TRP . 5.0 mm-40 -81.31 145.13 55.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' PRO . . . . . 0.607 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.02 26.32 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' TRP . . . . . 0.591 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.8 t-105 -124.89 -37.72 2.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 108.026 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.734 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 7.7 m-85 -94.56 -36.13 0.3 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' PRO . . . . . 0.734 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -75.0 -38.72 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ASP . . . . . 0.647 ' CB ' ' H2 ' ' B' ' 1' ' ' HIS . 2.8 t0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.585 HD11 ' HA ' ' A' ' 22' ' ' LEU . 28.7 pt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.615 HG13 ' N ' ' A' ' 15' ' ' THR . 3.6 t -125.61 158.3 34.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.996 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -146.53 150.18 35.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.578 1.174 . . . . 0.0 108.332 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.889 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 23.1 m-70 -84.3 147.61 27.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.581 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -113.05 114.3 26.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.932 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.15 -16.71 15.65 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.52 1.138 . . . . 0.0 110.43 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.571 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -85.19 -49.56 8.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.273 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.89 -104.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.359 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.848 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -62.81 -161.64 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.008 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.848 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.7 Cg_endo -74.97 -54.53 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.468 1.773 . . . . 0.0 111.081 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.095 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.23 103.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.471 1.107 . . . . 0.0 109.365 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.426 ' O ' HG13 ' A' ' 14' ' ' VAL . 51.8 p -154.76 139.58 17.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.6 1.188 . . . . 0.0 109.934 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.889 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.77 99.03 4.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.559 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.05 127.99 71.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.226 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.615 ' N ' HG13 ' A' ' 2' ' ' VAL . 9.4 m -48.25 141.98 5.9 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.456 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.778 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.91 178.6 1.29 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 108.31 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.743 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.91 -174.21 1.84 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.532 1.807 . . . . 0.0 111.058 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.743 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 115.78 4.39 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.517 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.0 -55.96 0.45 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.453 1.095 . . . . 0.0 110.966 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.667 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 33.4 mp0 -66.42 105.33 1.44 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 0.746 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -86.14 7.18 25.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.1 . . . . 0.0 109.283 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.775 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -174.66 -170.83 0.51 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.515 1.135 . . . . 0.0 109.317 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.996 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -104.14 -171.58 1.96 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.467 1.104 . . . . 0.0 108.243 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 59' ' ' CYS . 19.1 p90 -166.9 167.93 14.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.145 . . . . 0.0 110.955 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.917 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -136.83 98.78 3.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 110.361 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.782 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.31 155.98 24.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.456 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.6 mtt -149.87 149.44 30.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 110.99 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.967 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.16 -101.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.69 119.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 108.218 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.512 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 40.8 t0 -48.21 178.04 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.462 1.101 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.66 -0.76 13.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.398 1.061 . . . . 0.0 109.252 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.5 m-85 -119.71 -11.86 9.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.62 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 4.0 t 37.5 59.14 1.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.307 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 59.8 m -59.51 176.53 0.26 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.046 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 m -73.04 -2.42 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.942 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.814 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 0.0 OUTLIER -76.99 3.8 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 110.239 -179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.94 -124.18 7.03 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.463 1.102 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.967 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -97.95 -168.86 1.73 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 0.74 . . . . 0.0 109.371 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.799 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.68 -162.2 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.126 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.5 75.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.351 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.659 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.7 mt-10 -90.13 68.28 7.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.323 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.939 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.68 -179.34 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.231 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.498 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.58 -146.75 13.29 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.118 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.778 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 4.8 m -112.15 155.32 24.12 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.77 144.92 4.32 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.321 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.633 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.84 -46.96 68.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.224 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.7 p -160.57 162.47 32.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.442 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.84 97.66 0.13 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 108.36 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.044 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -74.95 -4.57 15.61 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.45 1.763 . . . . 0.0 110.97 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.11 139.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.923 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.841 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.85 -114.93 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.841 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -155.93 -52.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.737 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.2 Cg_endo -75.0 -107.21 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.506 1.792 . . . . 0.0 110.94 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.894 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.4 p90 -82.39 -53.13 6.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.74 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.6 mt-10 -36.63 72.91 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 1.106 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.894 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -87.08 90.57 8.4 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.458 1.099 . . . . 0.0 110.23 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.044 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.6 t -98.43 158.03 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 109.233 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.57 -145.61 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.587 1.179 . . . . 0.0 110.386 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.3 m -153.16 171.98 17.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.551 1.157 . . . . 0.0 108.374 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.95 114.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 108.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.498 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 24.6 p -110.02 -34.52 6.39 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.542 1.151 . . . . 0.0 110.03 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.783 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.3 165.13 0.06 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.426 1.079 . . . . 0.0 110.399 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.7 103.54 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.297 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.487 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.8 mttm 65.31 50.99 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.182 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.36 27.34 5.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 108.291 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 1.0 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.78 9.57 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.0 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.95 69.42 5.51 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.4 1.737 . . . . 0.0 111.042 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.132 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.7 p80 -37.83 158.04 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.571 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.648 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -74.98 104.59 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.522 1.801 . . . . 0.0 111.009 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 1.132 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.99 -40.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.142 . . . . 0.0 109.352 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.693 HE21 ' HZ1' ' A' ' 70' ' ' LYS . 40.2 mt-30 -57.05 78.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.371 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.562 ' N ' ' O ' ' A' ' 70' ' ' LYS . 46.2 ttt180 -167.96 141.27 2.69 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.515 1.134 . . . . 0.0 110.279 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.461 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.3 Cg_endo -75.04 108.75 2.79 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.465 1.771 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.563 1.164 . . . . 0.0 110.985 -179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.769 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 3.4 t-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.673 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -172.6 168.11 5.32 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.932 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.72 49.66 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.602 1.189 . . . . 0.0 110.999 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.814 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.4 m-85 -58.8 -165.47 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.51 39.99 1.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.443 1.09 . . . . 0.0 110.274 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . 0.429 ' CB ' ' NE ' ' A' ' 36' ' ' ARG . 13.0 t -148.68 -4.61 0.44 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.478 1.111 . . . . 0.0 110.022 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.643 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 15.6 t -173.09 166.89 4.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 110.04 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 1.095 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -125.83 -23.17 4.04 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.448 1.093 . . . . 0.0 109.359 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.513 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.0 mm-40 -83.4 144.04 45.71 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.148 . . . . 0.0 110.317 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.509 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -74.92 24.88 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.533 1.807 . . . . 0.0 110.989 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.588 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.3 t-105 -124.65 -34.5 2.85 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.741 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.2 m-30 -96.68 -35.75 0.27 Allowed Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.741 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.1 Cg_endo -75.01 -37.47 2.01 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.602 1.843 . . . . 0.0 110.934 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.769 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 2.2 t0 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.233 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 22' ' ' LEU . 32.2 pt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.641 HG13 ' N ' ' A' ' 15' ' ' THR . 3.2 t -127.09 155.79 38.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.83 149.93 36.26 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.436 1.085 . . . . 0.0 108.286 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.877 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.8 m-70 -84.78 145.87 27.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.556 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -111.41 114.58 27.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.938 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.53 -16.11 15.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.449 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.584 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -86.11 -49.01 8.09 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.97 -103.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.406 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.854 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.55 -161.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.042 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.854 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.97 -54.62 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.498 1.789 . . . . 0.0 110.966 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.088 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.98 103.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.343 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.423 ' O ' HG13 ' A' ' 14' ' ' VAL . 52.9 p -154.09 138.95 17.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.039 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.877 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.68 99.97 5.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.625 1.203 . . . . 0.0 109.256 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.566 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.66 127.13 68.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.429 1.081 . . . . 0.0 109.3 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.641 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.3 m -48.05 142.56 5.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 110.409 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.772 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.63 178.42 1.35 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 108.333 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.759 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.6 Cg_endo -74.89 -173.63 1.62 Allowed 'Trans proline' 0 C--N 1.358 1.074 0 O-C-N 124.5 1.789 . . . . 0.0 111.002 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.759 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 114.31 4.0 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.359 1.715 . . . . 0.0 111.055 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.527 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 153.44 -56.34 0.43 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.518 1.136 . . . . 0.0 111.034 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.675 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 12.9 mp0 -66.57 103.71 1.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.594 0.82 . . . . 0.0 110.274 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.4 m120 -83.98 5.76 24.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -173.65 -171.37 0.67 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.06 -170.8 1.84 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.583 1.177 . . . . 0.0 108.282 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.516 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.4 p90 -167.79 167.29 13.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.024 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.93 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.27 98.93 3.97 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.549 1.156 . . . . 0.0 110.346 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.762 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.5 156.14 24.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.453 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.13 150.81 32.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.438 1.086 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.965 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.27 -101.4 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 107.997 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.668 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.41 118.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 108.337 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.504 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 42.3 t0 -47.07 177.73 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.418 1.074 . . . . 0.0 109.292 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.64 -0.65 13.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.6 m-85 -120.72 -10.21 9.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.604 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.1 t 37.1 62.43 0.81 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 53.9 m -60.55 175.43 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.044 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.687 ' CB ' HH21 ' A' ' 36' ' ' ARG . 47.4 m -72.8 -4.73 33.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.493 1.121 . . . . 0.0 110.014 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.77 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.1 mmp_? -76.04 5.51 6.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.05 -124.59 7.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.614 1.196 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.965 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -97.08 -169.41 1.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 0.788 . . . . 0.0 109.235 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.789 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.42 -161.73 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.138 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.93 76.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.489 1.118 . . . . 0.0 109.368 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.661 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.8 mt-10 -90.62 68.33 6.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 110.322 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.957 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.54 -178.34 0.68 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.422 1.076 . . . . 0.0 109.352 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.65 -146.91 13.87 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.498 1.124 . . . . 0.0 110.97 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.772 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.1 m -112.14 155.13 24.43 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.445 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.46 144.93 4.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.402 1.064 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.71 -47.58 67.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 46' ' ' ALA . 25.1 p -160.35 161.07 33.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.627 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.03 97.68 0.12 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.107 . . . . 0.0 108.303 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.035 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.98 -5.06 16.32 Favored 'Trans proline' 0 C--N 1.362 1.254 0 O-C-N 124.446 1.761 . . . . 0.0 110.992 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.56 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -24.86 139.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.986 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.852 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.91 -114.62 0.1 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.574 1.171 . . . . 0.0 109.371 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.852 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.29 -52.35 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.413 1.07 . . . . 0.0 109.339 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.741 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.94 -106.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.495 1.787 . . . . 0.0 110.99 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.901 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.25 -53.67 5.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.093 . . . . 0.0 111.022 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.73 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -36.14 72.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.289 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.901 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -86.46 90.71 8.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.289 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.035 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.4 t -98.56 158.11 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -127.4 -144.28 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.408 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.627 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.3 m -154.36 171.86 18.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 108.29 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.76 114.85 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 108.338 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.431 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 18.9 p -110.25 -33.88 6.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.544 1.153 . . . . 0.0 110.056 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.788 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.64 166.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.385 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -71.68 103.33 3.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.483 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.2 mttm 65.53 51.2 1.54 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.593 1.183 . . . . 0.0 109.308 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.161 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -99.78 27.39 5.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.14 . . . . 0.0 108.31 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.999 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.16 9.74 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.999 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.94 69.66 5.44 Favored 'Trans proline' 0 C--N 1.361 1.221 0 O-C-N 124.452 1.764 . . . . 0.0 111.098 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.138 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.9 p80 -38.32 158.11 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 109.629 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.649 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -75.04 104.81 1.97 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 111.05 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 1.124 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.87 -41.05 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.422 1.076 . . . . 0.0 109.263 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.618 HE21 ' HZ1' ' A' ' 70' ' ' LYS . 38.9 mt-30 -54.56 79.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 110.325 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.583 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -164.58 132.78 2.61 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.306 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.38 3.54 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.499 1.789 . . . . 0.0 110.942 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.546 1.154 . . . . 0.0 110.987 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.549 ' H2 ' ' C ' ' B' ' 14' ' ' ASP . 28.6 t-80 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.688 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -166.0 167.49 16.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.938 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.15 49.66 1.11 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.977 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.77 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -59.39 -166.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.935 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.5 39.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.577 1.173 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.72 -3.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.656 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 18.8 t -174.18 167.03 4.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.107 . . . . 0.0 109.911 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 1.088 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.6 tm? -126.58 -23.11 3.81 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.511 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.6 mm-40 -83.73 145.03 46.37 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.356 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.54 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -74.95 24.07 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.415 1.745 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.606 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.3 OUTLIER -123.33 -38.18 2.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 108.077 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.74 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 7.0 m-85 -92.79 -35.91 0.34 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.555 1.159 . . . . 0.0 111.015 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.74 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.5 Cg_endo -74.88 -37.97 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.522 1.801 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.549 ' C ' ' H2 ' ' B' ' 1' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.548 1.155 . . . . 0.0 109.334 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.567 HD11 ' HA ' ' A' ' 22' ' ' LEU . 28.0 pt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.611 HG13 ' N ' ' A' ' 15' ' ' THR . 3.4 t -125.48 156.11 34.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 0.0 109.24 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.983 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.4 m -144.92 149.58 35.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 108.31 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.87 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.2 m-70 -83.14 146.61 28.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.605 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -112.2 114.62 27.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.451 1.094 . . . . 0.0 110.349 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.943 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.24 -17.31 15.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.086 . . . . 0.0 110.426 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.569 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.74 -49.08 8.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.0 -104.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.852 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.14 -161.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.071 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.852 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.97 -55.25 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.477 1.778 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.095 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.88 103.82 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.561 1.163 . . . . 0.0 109.243 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.459 ' O ' HG13 ' A' ' 14' ' ' VAL . 52.5 p -156.01 138.84 15.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.436 1.085 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.87 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -75.48 98.59 3.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.533 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.3 128.15 71.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 109.303 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.611 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.1 m -47.22 142.75 3.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 110.375 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.792 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -99.37 178.85 1.17 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.573 1.171 . . . . 0.0 108.318 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.731 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -74.99 -174.67 2.02 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.435 1.755 . . . . 0.0 111.029 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.731 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.4 Cg_endo -74.99 118.69 5.36 Favored 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.495 1.787 . . . . 0.0 110.998 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.487 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 149.13 -55.03 0.49 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.499 1.125 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.626 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 37.3 mp0 -67.71 106.64 2.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.589 0.817 . . . . 0.0 110.243 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -87.01 5.2 38.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.758 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -172.06 -171.35 0.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.983 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.8 m -103.02 -171.7 1.99 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.411 1.069 . . . . 0.0 108.297 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.523 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 19.2 p90 -167.24 167.9 13.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 111.019 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.927 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.99 98.97 3.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.431 1.082 . . . . 0.0 110.278 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.77 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.46 155.82 24.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.604 1.19 . . . . 0.0 109.385 179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.62 149.34 30.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.967 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.97 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.47 -101.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.143 . . . . 0.0 107.969 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.46 121.79 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 108.329 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.549 ' OD1' ' NE ' ' B' ' 2' ' ' ARG . 42.3 t0 -49.61 178.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.02 -1.4 14.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.6 m-85 -116.97 -14.8 10.64 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.467 1.104 . . . . 0.0 110.951 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.674 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 1.7 t 35.51 60.58 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 108.329 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.4 m -72.8 177.06 5.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.997 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.436 ' C ' ' H ' ' A' ' 37' ' ' GLY . 11.1 m -64.25 -9.5 17.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.105 . . . . 0.0 110.034 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.765 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 9.5 mmm180 -67.65 1.49 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.436 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 84.23 -129.37 9.14 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.42 1.075 . . . . 0.0 111.039 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.97 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -96.01 -168.2 1.71 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 0.773 . . . . 0.0 109.289 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.792 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -106.45 -162.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.135 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.22 76.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.349 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.66 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.7 mt-10 -90.33 68.98 6.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.959 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.89 -176.81 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 109.193 -179.916 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 156.45 -148.36 18.17 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.582 1.176 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.845 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 25.9 m -111.27 154.06 25.02 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.03 144.75 5.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.585 1.178 . . . . 0.0 109.303 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' ' 47' ' ' THR . . . -51.79 -48.03 63.99 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.629 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.3 p -160.4 161.59 33.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 1.109 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.54 97.45 0.11 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 108.305 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.036 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.4 Cg_endo -74.97 -4.82 15.98 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.473 1.775 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.564 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -24.82 139.61 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.862 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.41 -114.32 0.11 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.867 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.862 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.61 -52.44 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.734 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.9 -107.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.559 1.821 . . . . 0.0 110.988 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.906 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.51 -53.18 6.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 111.04 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.744 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.7 mt-10 -36.52 72.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.906 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -86.25 89.64 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.317 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.036 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.65 157.99 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.295 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.8 -146.22 0.32 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.46 1.1 . . . . 0.0 110.426 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.651 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 13.1 m -152.46 172.35 16.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 108.315 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.202 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.52 115.45 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 108.394 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.494 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 33.6 p -110.58 -35.26 6.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.92 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.775 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.83 165.53 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 0.0 110.434 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.87 104.48 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.409 1.068 . . . . 0.0 109.336 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.476 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 38.0 mttt 64.47 51.32 2.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.202 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.88 27.41 5.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 108.258 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.997 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.11 10.12 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.997 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -74.9 69.29 5.5 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.45 1.763 . . . . 0.0 110.989 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.14 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.9 p80 -38.24 157.78 0.1 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.633 1.208 . . . . 0.0 109.684 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.652 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.98 105.12 2.02 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.544 1.812 . . . . 0.0 111.059 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 1.14 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -160.44 -40.86 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.116 . . . . 0.0 109.399 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.581 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 41.1 mt-30 -54.91 79.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 110.316 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' A' ' 70' ' ' LYS . 3.2 ttt180 -163.28 133.03 3.17 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.294 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 114.36 4.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.482 1.78 . . . . 0.0 110.956 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.979 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.57 ' H2 ' ' C ' ' B' ' 14' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.686 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -164.82 167.94 18.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.432 1.083 . . . . 0.0 110.299 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.943 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.58 48.5 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 111.052 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.765 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.5 m-85 -56.37 -165.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 6.4 pt-20 -107.07 34.47 3.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.588 1.18 . . . . 0.0 110.363 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . 0.424 ' HB3' ' NE ' ' A' ' 36' ' ' ARG . 40.8 t -145.18 -0.35 0.88 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.689 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 14.3 t -175.0 166.44 3.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 110.092 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 1.095 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -127.26 -24.26 3.42 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.621 1.201 . . . . 0.0 109.329 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.515 ' C ' ' H ' ' B' ' 11' ' ' TRP . 5.7 mm-40 -81.85 144.8 52.46 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.535 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.3 Cg_endo -75.02 25.12 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.612 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 3.8 t-105 -125.22 -37.74 2.37 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 107.92 -1.141 . . . . 0.0 107.92 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.741 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.6 m-85 -93.03 -35.53 0.33 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 110.982 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.741 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.93 -39.5 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.542 1.812 . . . . 0.0 110.96 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.57 ' C ' ' H2 ' ' B' ' 1' ' ' HIS . 6.7 t70 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 109.239 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.641 HD11 ' HA ' ' A' ' 22' ' ' LEU . 32.6 pt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.638 HG13 ' N ' ' A' ' 15' ' ' THR . 3.3 t -126.69 155.07 37.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 109.23 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.6 150.58 37.68 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.539 1.15 . . . . 0.0 108.342 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.9 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.5 m-70 -85.82 145.99 26.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.607 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -111.69 115.08 28.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 110.437 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.951 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.74 -17.34 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.326 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.616 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.77 -49.49 8.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.43 -103.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.43 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.855 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.81 -161.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.574 1.171 . . . . 0.0 110.045 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.855 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.95 -54.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.492 1.785 . . . . 0.0 111.05 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.103 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.02 103.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.501 1.126 . . . . 0.0 109.336 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.407 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.3 p -153.16 138.68 17.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.009 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.9 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.11 100.72 5.83 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.58 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -128.96 127.16 65.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.195 -179.944 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.638 ' N ' HG13 ' A' ' 2' ' ' VAL . 8.6 m -48.15 142.21 5.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.42 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.774 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.12 178.46 1.36 Allowed Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.458 1.099 . . . . 0.0 108.188 -179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.765 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.98 -173.4 1.55 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.425 1.75 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.765 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.0 114.58 4.06 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.5 1.789 . . . . 0.0 110.994 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.507 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 153.34 -56.29 0.43 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 0.0 111.038 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.672 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 7.7 mp0 -67.37 103.3 1.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 0.778 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -83.41 5.62 22.94 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.148 . . . . 0.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.76 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.3 -171.36 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.411 1.069 . . . . 0.0 109.311 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.34 -170.01 1.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 108.415 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.53 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 19.2 p90 -168.3 167.84 11.83 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.159 . . . . 0.0 110.997 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.948 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.69 98.58 3.83 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.437 1.085 . . . . 0.0 110.344 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.757 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -81.97 156.23 24.81 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -150.12 151.51 33.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.987 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.95 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.78 -100.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 108.059 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.689 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -178.26 117.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 108.339 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.511 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 46.7 t0 -48.66 175.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.511 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -69.93 -2.08 11.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.361 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.458 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.7 m-85 -117.01 -13.04 10.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 110.964 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.598 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 4.6 t 37.71 60.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 0.0 108.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 61.8 m -59.86 174.36 0.49 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.936 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.4 m -71.66 -4.36 26.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.941 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.746 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.3 mmp_? -76.1 5.94 6.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 110.259 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.42 -125.29 7.32 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.95 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -96.5 -169.35 1.88 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.797 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.11 -162.67 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.127 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.51 76.7 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.368 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.683 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 2.9 mt-10 -91.4 68.07 5.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.427 1.079 . . . . 0.0 110.267 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.953 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -65.86 -177.85 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.38 -146.85 13.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.524 1.14 . . . . 0.0 111.045 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.774 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.8 m -112.37 155.24 24.48 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.451 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.81 144.55 4.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.608 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.41 -47.82 66.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.142 . . . . 0.0 109.243 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.9 p -160.06 161.26 33.88 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.37 97.65 0.12 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 108.24 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.045 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -74.99 -5.26 16.58 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.577 1.83 . . . . 0.0 111.076 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.567 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -24.1 139.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.537 1.148 . . . . 0.0 110.056 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.842 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.64 -114.77 0.1 Allowed 'General case' 0 C--N 1.327 -0.383 0 O-C-N 124.435 1.084 . . . . 0.0 109.255 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.842 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.03 -52.65 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.738 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -74.85 -106.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.525 1.803 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.901 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.76 -53.26 6.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.734 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.8 mt-10 -36.54 72.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 110.287 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.901 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -86.58 90.08 8.13 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.443 1.089 . . . . 0.0 110.259 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.045 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.4 t -97.48 158.41 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.236 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.5 m -127.78 -145.13 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.2 m -153.54 172.04 17.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 108.306 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.6 114.98 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 108.325 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.433 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 6.4 p -110.4 -34.38 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.09 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.49 165.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 110.431 179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.19 103.82 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.482 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 38.7 mttt 65.2 51.0 1.7 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.542 1.152 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.78 27.34 5.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.232 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 1.0 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.99 9.48 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.0 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.87 69.66 5.39 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.534 1.807 . . . . 0.0 111.065 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.127 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.7 p80 -38.2 158.13 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.502 1.126 . . . . 0.0 109.506 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.662 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -75.0 104.65 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.557 1.819 . . . . 0.0 110.976 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 1.118 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.2 -41.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.609 HE21 ' HZ2' ' A' ' 70' ' ' LYS . 40.4 mt-30 -55.56 80.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.564 ' N ' ' O ' ' A' ' 70' ' ' LYS . 51.4 ttp180 -168.85 140.54 2.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.43 1.081 . . . . 0.0 110.318 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.448 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -75.11 112.72 3.62 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 0.0 110.902 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 O-C-N 124.478 1.112 . . . . 0.0 110.946 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.666 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 8.0 t60 . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.698 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -162.16 168.34 22.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.614 1.196 . . . . 0.0 110.242 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.951 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.63 49.87 1.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.746 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -59.88 -166.06 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.513 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.36 38.94 1.84 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . 0.455 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 33.1 t -146.4 -5.51 0.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 110.02 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.622 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 13.5 t -172.99 169.05 4.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.914 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 1.103 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -127.87 -21.34 3.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.55 1.156 . . . . 0.0 109.245 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.516 ' C ' ' H ' ' B' ' 11' ' ' TRP . 1.3 mt-10 -85.27 144.53 41.03 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.279 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.55 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -74.99 26.0 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.608 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.3 OUTLIER -124.64 -37.41 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.0 m-85 -94.31 -35.49 0.3 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.576 1.172 . . . . 0.0 110.966 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.92 -38.97 1.39 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.545 1.813 . . . . 0.0 111.043 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.666 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 3.5 t0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 109.321 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.556 HD11 ' HA ' ' A' ' 22' ' ' LEU . 30.1 pt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.591 HG13 ' N ' ' A' ' 15' ' ' THR . 2.9 t -124.75 157.15 33.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.007 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 2.7 m -146.06 149.87 34.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 108.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.871 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.8 m-70 -83.33 147.68 27.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.624 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -113.32 114.44 26.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 110.404 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.952 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.1 -16.88 15.63 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.544 1.152 . . . . 0.0 110.378 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.6 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -85.2 -49.2 8.41 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.356 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.86 -104.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 110.354 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.852 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.07 -161.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.035 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.852 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.95 -54.97 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.114 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.49 104.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.435 ' O ' HG13 ' A' ' 14' ' ' VAL . 51.4 p -157.01 139.78 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.977 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.871 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.14 97.83 4.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.5 ' C ' HG13 ' A' ' 2' ' ' VAL . 1.0 OUTLIER -124.61 129.5 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.591 ' N ' HG13 ' A' ' 2' ' ' VAL . 5.1 m -48.16 143.08 4.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.369 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.787 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.5 178.99 1.1 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 108.378 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.716 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.1 Cg_endo -75.01 -175.15 2.22 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.57 1.826 . . . . 0.0 110.974 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.716 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.5 Cg_endo -75.05 118.81 5.39 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.571 1.827 . . . . 0.0 111.118 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.513 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 149.22 -55.67 0.49 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.116 . . . . 0.0 110.974 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.641 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 36.7 mp0 -66.49 106.1 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.588 0.817 . . . . 0.0 110.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.4 m120 -86.68 5.29 36.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.762 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -172.23 -171.55 0.85 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 1.007 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.8 m -102.54 -172.22 2.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.568 1.167 . . . . 0.0 108.24 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.525 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.9 p90 -167.03 167.52 14.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.972 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.49 99.27 4.03 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.433 1.083 . . . . 0.0 110.325 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.769 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.86 157.05 23.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.226 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.487 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.35 152.95 35.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.596 1.185 . . . . 0.0 110.956 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.976 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.58 -101.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 107.967 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.664 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.36 121.14 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 108.239 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.55 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 42.4 t0 -49.42 177.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.372 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.85 -1.65 14.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.467 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.3 m-85 -116.93 -13.94 10.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 110.982 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.66 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 1.9 t 35.45 60.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 108.282 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.0 m -71.52 175.9 5.17 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.428 ' C ' ' H ' ' A' ' 37' ' ' GLY . 14.0 m -64.68 -8.8 15.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.56 1.163 . . . . 0.0 109.975 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.756 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 8.7 mmm180 -68.25 1.53 2.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 110.314 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.428 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 85.09 -127.94 8.45 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.976 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -97.05 -169.12 1.81 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.492 0.76 . . . . 0.0 109.355 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.797 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -105.05 -163.85 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.127 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -152.45 77.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.583 1.177 . . . . 0.0 109.23 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.677 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -92.62 70.11 4.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.972 HD23 ' HG2' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -67.25 -176.7 0.59 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.527 1.142 . . . . 0.0 109.381 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 156.86 -148.96 19.51 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.377 1.048 . . . . 0.0 111.01 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.815 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 23.9 m -110.94 153.54 25.37 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.277 -1.008 . . . . 0.0 108.277 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.414 ' N ' ' HB3' ' A' ' 20' ' ' GLU . . . -165.61 145.64 6.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 109.353 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.72 -47.83 67.07 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.522 1.139 . . . . 0.0 109.24 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.9 p -160.58 162.16 32.78 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.509 1.131 . . . . 0.0 110.468 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.625 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.91 97.11 0.11 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 108.322 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.048 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.4 Cg_endo -74.88 -4.65 15.72 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.521 1.8 . . . . 0.0 111.049 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.558 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -25.3 139.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.927 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.848 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.19 -114.62 0.11 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.531 1.145 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.848 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.2 OUTLIER -156.17 -52.59 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.392 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.732 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.1 Cg_endo -75.0 -107.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.524 1.802 . . . . 0.0 111.003 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.898 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.51 -52.96 6.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.738 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.0 mt-10 -36.91 72.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.115 . . . . 0.0 110.313 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.898 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -86.76 90.42 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.407 1.067 . . . . 0.0 110.233 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.048 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.29 158.18 3.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.344 1.028 . . . . 0.0 109.284 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.74 -146.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 110.456 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.625 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.8 m -152.64 172.29 16.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 108.252 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.204 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 178.82 115.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.456 1.097 . . . . 0.0 108.381 179.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.495 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 24.7 p -109.63 -35.09 6.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.79 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.44 164.01 0.06 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 110.412 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.44 103.13 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.406 1.066 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.472 ' HG2' ' CB ' ' A' ' 13' ' ' ALA . 72.0 mttt 66.63 50.32 1.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.373 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.204 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.7 p -99.91 28.45 4.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 108.331 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.994 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.88 10.44 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.343 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.994 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.99 69.6 5.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.528 1.804 . . . . 0.0 111.025 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.134 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -38.37 158.27 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.65 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.635 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.5 Cg_endo -74.91 104.18 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.536 1.808 . . . . 0.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 1.134 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.5 -40.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.639 HE21 ' HZ2' ' A' ' 70' ' ' LYS . 36.9 mt-30 -56.47 78.21 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.411 1.069 . . . . 0.0 110.349 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 70' ' ' LYS . 55.9 ttt180 -167.36 141.38 3.03 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.28 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.467 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -75.03 112.72 3.62 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.436 1.756 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 -179.91 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.654 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 13.1 t-80 . . . . . 0 N--CA 1.451 -0.4 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.68 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -169.48 167.87 9.66 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.135 . . . . 0.0 110.411 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.952 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.61 48.16 1.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.756 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.6 m-85 -56.15 -165.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.127 . . . . 0.0 111.015 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.487 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 7.0 pt-20 -106.57 32.25 4.65 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.509 1.131 . . . . 0.0 110.279 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . 0.515 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 17.7 t -142.2 -0.24 1.29 Allowed 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.475 1.109 . . . . 0.0 110.026 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.68 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 31.0 t -176.18 167.53 2.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 0.0 110.035 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 1.114 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.4 tm? -126.6 -27.31 3.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.514 ' C ' ' H ' ' B' ' 11' ' ' TRP . 4.6 mm-40 -79.39 144.12 61.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.526 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -74.94 24.78 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 110.952 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.612 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.9 OUTLIER -123.33 -38.43 2.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 107.994 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.6 m-30 -93.65 -35.48 0.32 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.99 -37.25 2.11 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.497 1.788 . . . . 0.0 111.054 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.654 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 2.7 t0 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 109.284 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.61 HD11 ' HA ' ' A' ' 22' ' ' LEU . 28.2 pt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.623 HG13 ' N ' ' A' ' 15' ' ' THR . 3.3 t -125.74 157.36 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.97 150.23 35.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 108.293 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.88 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.8 m-70 -84.9 147.12 26.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.565 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -113.02 115.49 28.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 110.414 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.966 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.52 -17.91 15.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.612 1.195 . . . . 0.0 110.478 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.26 -49.72 8.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.334 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.14 -103.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.145 . . . . 0.0 110.414 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.858 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -64.03 -161.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.969 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.858 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.6 Cg_endo -75.07 -54.77 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.779 . . . . 0.0 111.028 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.106 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.06 102.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.445 ' O ' HG13 ' A' ' 14' ' ' VAL . 59.1 p -153.92 138.94 17.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.618 1.199 . . . . 0.0 109.929 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.88 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.21 100.03 4.92 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.475 1.109 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.565 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.55 128.0 69.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.588 1.18 . . . . 0.0 109.315 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.623 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.0 m -47.85 142.7 4.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.556 1.16 . . . . 0.0 110.471 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.768 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.76 178.93 1.16 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 108.347 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.738 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.0 -174.56 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.495 1.787 . . . . 0.0 111.02 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.738 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.99 115.1 4.19 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.502 1.79 . . . . 0.0 110.919 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.518 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.89 -56.37 0.43 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.409 1.068 . . . . 0.0 111.031 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.654 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 41.1 mp0 -66.54 104.43 1.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 0.755 . . . . 0.0 110.35 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.518 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.4 m120 -84.62 5.97 25.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.401 1.063 . . . . 0.0 109.304 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.12 -170.8 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.602 1.189 . . . . 0.0 109.255 -179.892 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.76 -170.96 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.345 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.537 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.1 p90 -167.59 167.51 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.982 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.934 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.48 99.19 4.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 110.342 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.771 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.58 156.76 23.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.288 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.48 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -150.3 151.63 33.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 111.005 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.975 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -168.5 -101.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 107.991 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.65 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.57 120.57 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 108.302 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.542 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.5 t0 -49.4 177.96 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.524 1.14 . . . . 0.0 109.215 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.37 -0.76 13.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.611 1.194 . . . . 0.0 109.247 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.9 m-85 -117.92 -13.78 10.05 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.572 1.17 . . . . 0.0 111.055 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.638 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 2.8 t 35.97 60.29 0.83 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 108.277 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 67.0 m -67.9 175.87 2.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 109.946 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.5 m -67.25 -6.66 19.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.14 . . . . 0.0 110.048 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.77 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 6.0 mmm180 -71.19 2.67 4.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.248 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.7 -128.2 8.66 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.528 1.143 . . . . 0.0 111.063 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.975 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -96.24 -169.23 1.88 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 0.732 . . . . 0.0 109.283 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.805 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.57 -163.78 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.124 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -152.53 77.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.687 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 2.9 mt-10 -92.0 69.69 5.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.407 1.067 . . . . 0.0 110.241 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.956 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -67.72 -179.0 1.03 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.626 1.204 . . . . 0.0 109.267 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.468 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.88 -145.92 11.99 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.58 1.175 . . . . 0.0 110.995 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.768 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.7 m -113.49 154.13 27.55 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.59 144.65 5.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.63 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.01 -47.16 65.1 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.8 p -160.71 161.95 32.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 0.0 110.403 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.632 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.81 97.51 0.12 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 108.299 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.024 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.01 -4.23 15.1 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 110.985 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -25.23 139.02 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.43 1.082 . . . . 0.0 110.031 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.855 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.36 -114.54 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 109.388 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.855 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.63 -52.29 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.737 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.95 -106.54 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.883 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.35 -53.15 5.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.437 1.086 . . . . 0.0 111.011 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.743 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.7 mt-10 -36.26 73.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.276 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.883 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -86.92 90.74 8.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.428 1.08 . . . . 0.0 110.236 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.024 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.59 158.26 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.93 -146.25 0.32 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 110.351 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.632 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.3 m -152.6 171.75 17.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 108.384 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.164 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.9 115.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 108.291 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.493 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 23.0 p -110.9 -35.33 5.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 0.0 109.971 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.35 165.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 110.416 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.3 103.46 2.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 18.4 mttm 65.37 51.32 1.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.162 . . . . 0.0 109.293 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.164 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.91 27.62 5.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 108.297 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.995 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.07 9.48 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.587 1.18 . . . . 0.0 109.285 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.995 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.9 69.52 5.45 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.553 1.817 . . . . 0.0 111.048 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.124 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.7 p80 -38.1 157.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.411 1.069 . . . . 0.0 109.631 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.664 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -75.01 104.34 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.562 1.822 . . . . 0.0 110.968 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 1.105 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -162.22 -37.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.599 HE21 ' HZ2' ' A' ' 70' ' ' LYS . 38.2 mt-30 -60.39 61.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.471 1.107 . . . . 0.0 110.268 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.661 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -99.07 -53.95 0.19 Allowed Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.162 . . . . 0.0 110.345 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.599 ' HB2' ' CE2' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.96 -163.04 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.464 1.771 . . . . 0.0 111.064 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.428 1.08 . . . . 0.0 110.989 -179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.627 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 3.4 p-80 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.576 -0.527 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.683 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -163.86 167.21 21.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 0.0 110.361 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.966 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.14 49.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 110.893 -179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.77 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -57.45 -165.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 1.7 pt-20 -106.91 34.7 3.31 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . 0.516 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 12.6 t -144.6 -3.51 0.8 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.551 1.157 . . . . 0.0 109.953 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.614 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 19.6 t -172.66 165.56 5.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.588 1.18 . . . . 0.0 110.017 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 1.106 HD21 ' CD1' ' A' ' 11' ' ' ILE . 2.0 tm? -126.28 -23.58 3.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 1.081 . . . . 0.0 109.323 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.518 ' C ' ' H ' ' B' ' 11' ' ' TRP . 75.3 mm-40 -81.86 143.97 50.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 110.364 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.522 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.5 Cg_endo -74.97 27.83 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.462 1.769 . . . . 0.0 111.058 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.622 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.7 OUTLIER -126.84 -38.18 2.06 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 45.2 m-85 -94.0 -34.95 0.31 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 111.025 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.98 -42.0 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.407 1.741 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.627 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 3.5 t0 . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.399 1.062 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.637 HD11 ' HA ' ' A' ' 22' ' ' LEU . 32.6 pt . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.629 HG13 ' N ' ' A' ' 15' ' ' THR . 3.4 t -126.71 156.04 37.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.458 1.098 . . . . 0.0 109.284 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.43 148.92 33.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 108.311 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.889 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.5 m-70 -84.11 146.15 28.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.41 1.068 . . . . 0.0 109.607 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -112.45 115.12 28.18 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.138 . . . . 0.0 110.428 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.944 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.1 -18.74 14.82 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.404 1.065 . . . . 0.0 110.408 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -83.29 -50.24 8.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.7 -103.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.573 1.17 . . . . 0.0 110.466 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.853 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.74 -161.54 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 110.081 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.853 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -75.01 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.438 1.757 . . . . 0.0 111.048 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.083 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.4 102.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.244 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.415 ' O ' HG13 ' A' ' 14' ' ' VAL . 57.8 p -153.79 139.26 17.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.579 1.174 . . . . 0.0 110.016 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.889 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.08 100.68 5.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.093 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.58 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -128.8 126.87 65.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.552 1.158 . . . . 0.0 109.334 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.629 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.6 m -47.66 142.4 4.57 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.559 1.162 . . . . 0.0 110.419 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.79 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.42 179.06 1.17 Allowed Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.109 . . . . 0.0 108.311 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.748 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.96 -174.19 1.84 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 0.0 111.028 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.748 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -74.89 114.44 4.03 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.465 1.771 . . . . 0.0 111.081 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.527 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 153.56 -56.75 0.42 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.48 1.112 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.642 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.5 mp0 -66.53 104.55 1.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 0.763 . . . . 0.0 110.309 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -84.52 6.3 24.17 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.387 1.054 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.56 -171.36 0.67 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.414 1.071 . . . . 0.0 109.306 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.907 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -103.31 -169.93 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.596 1.185 . . . . 0.0 108.354 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.533 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.9 p90 -168.54 167.37 11.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.928 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.29 99.03 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.31 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.761 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.36 156.7 24.08 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.363 1.039 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.449 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -150.36 150.83 31.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.978 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -167.66 -101.75 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 107.979 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.655 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.28 119.43 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 108.317 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.529 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.4 t0 -48.63 177.37 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.294 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.14 -0.97 13.26 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.462 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.8 m-85 -118.53 -12.0 9.85 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.448 1.092 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.627 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.0 t 36.62 60.34 0.93 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 108.284 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.1 m -63.1 176.21 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.41 1.069 . . . . 0.0 109.975 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.8 m -71.48 -4.36 26.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.045 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.806 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.1 mmm180 -74.76 4.61 6.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 110.279 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.59 -125.43 7.41 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 111.034 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.978 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -97.24 -168.51 1.71 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.571 0.807 . . . . 0.0 109.387 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.806 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -104.55 -162.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.6 1.187 . . . . 0.0 109.329 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.131 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.78 77.08 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.686 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 2.8 mt-10 -92.02 68.98 5.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.314 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.965 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.95 -178.8 0.81 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.541 1.15 . . . . 0.0 109.256 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.28 -147.56 15.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.412 1.07 . . . . 0.0 111.067 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.79 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.6 m -111.42 154.96 23.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.74 144.41 4.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 1.108 . . . . 0.0 109.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.573 ' O ' HG23 ' A' ' 47' ' ' THR . . . -51.95 -48.03 64.49 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.493 1.121 . . . . 0.0 109.328 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.573 HG23 ' O ' ' A' ' 46' ' ' ALA . 28.2 p -159.82 162.17 34.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.445 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.636 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.11 97.53 0.12 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.323 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.03 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.0 Cg_endo -75.05 -4.31 15.21 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.501 1.79 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.26 139.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.06 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.875 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.76 -114.26 0.1 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.875 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.97 -52.32 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.483 1.114 . . . . 0.0 109.197 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.736 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.96 -106.61 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.504 1.791 . . . . 0.0 111.024 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.883 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.09 -52.86 6.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.43 1.081 . . . . 0.0 111.054 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.734 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.6 mt-10 -37.12 73.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 110.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.883 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -87.25 90.23 8.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.363 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.03 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.93 158.06 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.367 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -127.58 -144.99 0.3 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.376 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.636 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.4 m -153.68 171.97 18.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 108.235 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.16 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.82 114.8 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.47 1.106 . . . . 0.0 108.309 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.434 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 15.5 p -110.24 -34.08 6.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 110.05 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.785 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.67 165.25 0.07 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.511 1.132 . . . . 0.0 110.481 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -70.7 103.53 2.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.474 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.0 mttm 65.29 51.36 1.61 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.16 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.88 27.31 5.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 108.309 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.994 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.15 9.98 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.355 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.994 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.93 69.3 5.53 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.505 1.792 . . . . 0.0 110.965 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.173 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -38.74 158.28 0.1 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.563 1.165 . . . . 0.0 109.524 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.622 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.04 104.57 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.439 1.757 . . . . 0.0 110.943 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 1.173 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -159.36 -39.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.271 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.567 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 48.6 mt-30 -62.22 61.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.406 1.066 . . . . 0.0 110.281 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.628 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -96.26 -55.31 0.21 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.592 1.183 . . . . 0.0 110.33 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.501 ' HD3' ' CB ' ' A' ' 72' ' ' ARG . 18.6 Cg_endo -74.95 -28.91 8.86 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.516 1.798 . . . . 0.0 110.96 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.453 ' C ' ' CG ' ' B' ' 9' ' ' GLU . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.6 1.188 . . . . 0.0 110.955 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.704 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 3.7 t-160 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.689 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -176.49 167.01 2.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.292 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.944 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.17 48.8 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 111.037 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.806 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -58.06 -166.19 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.476 1.11 . . . . 0.0 111.01 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.423 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.82 38.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 -179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . 0.458 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 16.7 t -154.21 10.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.832 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 1.6 t 175.57 161.07 0.27 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.068 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 1.083 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -125.02 -24.59 4.01 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.593 1.183 . . . . 0.0 109.262 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' B' ' 11' ' ' TRP . 2.1 mm-40 -81.61 142.76 49.94 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.238 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.499 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -75.05 32.94 0.37 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.578 1.831 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.664 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -132.4 -36.02 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.78 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 15.3 m-30 -97.46 -32.29 0.26 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.78 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.3 Cg_endo -74.96 -42.81 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.49 1.784 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.704 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.629 HD11 ' HA ' ' A' ' 22' ' ' LEU . 31.6 pt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.616 HG13 ' N ' ' A' ' 15' ' ' THR . 3.3 t -126.24 156.24 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.14 149.66 35.38 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.432 1.082 . . . . 0.0 108.289 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.875 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.7 m-70 -84.2 147.23 27.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 109.591 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -113.18 114.77 27.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.401 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.958 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.22 -17.46 15.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.42 1.075 . . . . 0.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.604 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.69 -49.49 8.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.218 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.54 -103.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.603 1.189 . . . . 0.0 110.378 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.857 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.96 -161.4 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.973 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.857 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.98 -54.7 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.095 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.04 103.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 109.246 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.445 ' O ' HG13 ' A' ' 14' ' ' VAL . 56.3 p -154.57 138.64 16.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.92 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.875 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.21 100.03 4.92 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.394 1.059 . . . . 0.0 109.246 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.555 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.38 127.43 69.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.616 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.0 m -46.96 142.58 3.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.458 1.099 . . . . 0.0 110.456 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.776 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.63 178.53 1.28 Allowed Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.516 1.135 . . . . 0.0 108.328 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.742 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.95 -174.45 1.93 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.446 1.761 . . . . 0.0 111.037 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.742 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.06 115.92 4.42 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.463 1.77 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.526 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 151.99 -56.3 0.44 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.127 . . . . 0.0 110.94 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.661 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 35.4 mp0 -66.22 105.2 1.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.302 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.526 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -85.59 6.27 28.01 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.582 1.176 . . . . 0.0 109.269 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.766 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.9 OUTLIER -173.9 -171.12 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.574 1.171 . . . . 0.0 109.269 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.999 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -103.29 -170.65 1.82 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.117 . . . . 0.0 108.337 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.534 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.1 p90 -168.12 167.12 12.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.946 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.04 99.43 4.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.257 -179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.77 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.83 156.61 23.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.389 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.17 151.27 32.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.969 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.84 -101.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 107.979 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.653 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.51 120.13 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 108.293 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.541 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.5 t0 -49.05 177.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.37 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.03 -1.51 14.95 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 109.37 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.465 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.2 m-85 -117.65 -13.57 10.22 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.654 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 2.0 t 36.17 61.11 0.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.414 1.071 . . . . 0.0 108.206 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -67.63 175.92 2.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.925 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.405 ' C ' ' H ' ' A' ' 37' ' ' GLY . 15.1 m -67.53 -7.15 23.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 110.048 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.784 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.9 mmm180 -70.92 3.06 3.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.405 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 85.72 -127.32 8.21 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.542 1.151 . . . . 0.0 111.025 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.969 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -96.69 -169.01 1.81 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 109.277 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.8 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.44 -163.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.125 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.05 77.38 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.469 1.106 . . . . 0.0 109.323 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.681 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -92.28 69.09 5.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.431 1.082 . . . . 0.0 110.264 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.952 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.71 -177.37 0.58 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.477 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.06 -147.06 14.4 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.435 1.084 . . . . 0.0 111.07 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.776 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.0 m -112.32 155.6 23.84 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.12 145.45 4.18 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.393 1.058 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.605 ' O ' HG23 ' A' ' 47' ' ' THR . . . -53.14 -47.05 69.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 109.314 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.605 HG23 ' O ' ' A' ' 46' ' ' ALA . 27.3 p -160.57 162.01 32.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.424 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.1 97.69 0.12 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 0.0 108.309 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.029 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.08 -4.56 15.56 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.971 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.561 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.04 139.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.047 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.835 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.05 -114.96 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.835 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -155.91 -52.66 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.739 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -74.87 -106.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.472 1.775 . . . . 0.0 111.043 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.895 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.94 -53.29 5.95 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.551 1.157 . . . . 0.0 111.093 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.746 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.1 mt-10 -36.2 72.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.421 1.076 . . . . 0.0 110.275 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.895 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -86.72 90.83 8.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.029 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.57 157.86 3.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -127.44 -146.21 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 110.419 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.0 m -152.8 171.53 18.12 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.472 1.107 . . . . 0.0 108.273 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.177 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.99 115.29 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.448 1.092 . . . . 0.0 108.345 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.459 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 24.4 p -110.22 -34.6 6.32 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.998 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.782 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.05 165.41 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 110.436 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.11 103.58 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.238 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.485 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 32.9 mttt 65.53 51.02 1.57 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.4 1.063 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.177 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.61 27.31 5.42 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.093 . . . . 0.0 108.301 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.994 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.1 9.91 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.994 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -74.98 69.09 5.62 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.399 1.736 . . . . 0.0 111.041 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.16 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.7 p80 -38.49 158.16 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.115 . . . . 0.0 109.586 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.633 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -75.04 104.24 1.87 Allowed 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.587 1.835 . . . . 0.0 111.048 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 1.16 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -160.2 -38.86 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.09 . . . . 0.0 109.375 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.585 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 43.3 mt-30 -62.5 61.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.404 1.065 . . . . 0.0 110.32 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 70' ' ' LYS . 2.1 ttt180 -96.33 -55.64 0.21 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.204 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.505 ' HD3' ' CB ' ' A' ' 72' ' ' ARG . 18.3 Cg_endo -74.89 150.72 39.17 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.481 1.779 . . . . 0.0 111.087 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.539 ' N ' ' C ' ' B' ' 14' ' ' ASP . 27.8 m80 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.686 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER 178.23 165.72 0.76 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.333 -179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.958 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -115.55 49.56 1.08 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 111.039 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.784 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.1 m-85 -58.4 -164.84 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.97 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.5 OUTLIER -107.53 38.8 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 110.261 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . 0.438 ' HB3' ' NE ' ' A' ' 36' ' ' ARG . 17.7 t -153.4 4.3 0.31 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.775 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 1.4 t -177.45 162.61 1.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.51 1.131 . . . . 0.0 109.956 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 1.095 HD21 ' CD1' ' A' ' 11' ' ' ILE . 2.0 tm? -126.87 -23.13 3.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.264 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.483 ' C ' ' H ' ' B' ' 11' ' ' TRP . 4.1 mm-40 -83.12 142.91 44.69 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.412 1.07 . . . . 0.0 110.252 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.512 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -75.05 37.5 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.696 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -136.72 -36.67 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.792 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 8.3 m-85 -97.8 -30.57 0.25 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.792 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.6 Cg_endo -74.84 -43.36 0.43 Allowed 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.481 1.78 . . . . 0.0 111.06 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.539 ' C ' ' N ' ' B' ' 1' ' ' HIS . 1.3 t0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.538 HD11 ' HA ' ' A' ' 22' ' ' LEU . 22.2 pt . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.597 HG13 ' N ' ' A' ' 15' ' ' THR . 2.7 t -123.03 157.03 28.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.134 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.87 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.66 149.99 35.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 108.25 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.888 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.3 m-70 -85.11 146.47 27.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.521 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -111.76 114.66 27.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.37 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.961 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.36 -16.57 15.59 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.457 1.098 . . . . 0.0 110.428 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.586 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -85.54 -49.23 8.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.437 1.086 . . . . 0.0 109.396 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.93 -104.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.443 1.089 . . . . 0.0 110.444 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.861 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.2 -161.3 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 110.016 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.861 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.94 -54.73 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.437 1.756 . . . . 0.0 111.036 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.121 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.9 102.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.452 1.095 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.434 ' O ' HG13 ' A' ' 14' ' ' VAL . 51.9 p -153.74 138.71 17.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.987 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.888 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.39 97.66 4.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.499 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -124.76 129.13 73.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.597 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.8 m -48.13 143.17 4.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.746 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.0 178.3 1.31 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 108.317 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.722 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -75.04 -175.17 2.23 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.569 1.826 . . . . 0.0 111.0 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.722 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.01 115.43 4.28 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.544 1.813 . . . . 0.0 111.041 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.501 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.89 -55.53 0.44 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.619 1.199 . . . . 0.0 111.067 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.654 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 47.7 mp0 -67.4 104.91 1.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 0.774 . . . . 0.0 110.325 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -85.09 5.79 28.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.766 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.09 -170.77 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.87 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.98 -170.83 1.83 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.496 1.123 . . . . 0.0 108.333 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.522 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 17.9 p90 -167.62 167.68 13.25 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 110.988 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.915 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.93 99.2 3.95 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.778 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.41 156.14 24.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.376 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.46 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.92 149.78 30.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.067 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.967 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.43 -101.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.625 1.203 . . . . 0.0 108.012 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.683 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.61 117.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 108.325 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.507 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 47.6 t0 -47.92 176.01 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.507 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -70.79 -1.19 10.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.4 m-85 -119.16 -11.49 9.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.62 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.6 t 36.93 59.87 1.02 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 108.316 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.6 m -58.21 175.3 0.23 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.454 1.096 . . . . 0.0 109.972 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -73.06 -2.83 22.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.984 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.765 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.2 mmp_? -77.79 5.44 9.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.43 -124.73 7.2 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.456 1.098 . . . . 0.0 111.039 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.967 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.3 OUTLIER -97.1 -168.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.596 0.821 . . . . 0.0 109.264 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.793 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.98 -162.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.595 1.185 . . . . 0.0 109.349 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.116 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.59 75.86 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.346 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.659 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.7 mt-10 -90.14 68.54 7.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.953 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.65 -178.8 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.21 -147.22 14.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.42 1.075 . . . . 0.0 111.088 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.746 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.8 m -111.87 155.2 24.02 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.8 144.96 4.3 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.525 1.141 . . . . 0.0 109.212 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.92 -47.22 68.16 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 46' ' ' ALA . 22.6 p -160.41 161.49 33.02 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.452 1.095 . . . . 0.0 110.351 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.628 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.74 97.81 0.12 Allowed Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.495 1.122 . . . . 0.0 108.311 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.02 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.0 Cg_endo -75.02 -3.92 14.64 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.646 1.866 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.36 139.2 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.98 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.858 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.27 -114.56 0.1 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 0.0 109.387 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.858 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 2.3 mptt -156.75 -52.37 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 109.342 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.734 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.04 -106.24 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.002 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.875 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.54 -53.24 5.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.735 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.8 mt-10 -36.31 73.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.875 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -87.28 91.04 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.02 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.67 158.23 3.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.427 1.08 . . . . 0.0 109.252 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.511 HG22 ' H ' ' A' ' 59' ' ' CYS . 2.8 m -127.55 -146.98 0.34 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.383 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.628 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.8 m -152.12 171.45 17.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.558 1.161 . . . . 0.0 108.212 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.07 114.69 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 108.351 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.491 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 22.9 p -109.95 -34.29 6.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.955 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.78 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.68 165.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 110.435 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -70.9 103.53 2.67 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.463 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 18.9 mttm 65.23 51.84 1.56 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 109.276 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -100.34 27.16 5.9 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 108.312 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 1.023 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.59 9.08 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.023 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -75.01 69.28 5.6 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.405 1.74 . . . . 0.0 110.945 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.119 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.6 p80 -37.92 158.13 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.562 1.164 . . . . 0.0 109.609 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.659 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.04 104.32 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.487 1.783 . . . . 0.0 111.007 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 1.119 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.53 -38.19 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.673 HE21 ' HZ2' ' A' ' 70' ' ' LYS . 42.5 mt-30 -61.16 59.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.284 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.658 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -92.21 -50.44 0.3 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.153 . . . . 0.0 110.234 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.691 ' CB ' ' CE2' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.9 -162.43 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.546 1.814 . . . . 0.0 111.01 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 111.04 179.94 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.582 ' H2 ' ' HB3' ' B' ' 14' ' ' ASP . 15.6 m-70 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.704 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -163.4 168.17 20.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 0.0 110.221 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.961 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.92 48.43 1.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 110.99 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.765 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.0 m-85 -59.42 -165.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.509 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.36 40.84 1.53 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 110.278 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . 0.41 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 7.7 t -148.8 -7.72 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.45 1.094 . . . . 0.0 110.069 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.595 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 19.1 t -170.9 167.42 7.43 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.145 . . . . 0.0 110.051 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 1.121 HD21 ' CD1' ' A' ' 11' ' ' ILE . 2.0 tm? -127.13 -22.33 3.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 109.231 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.505 ' C ' ' H ' ' B' ' 11' ' ' TRP . 4.0 mm-40 -80.53 144.97 57.9 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.488 1.118 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.512 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.08 22.62 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.515 1.798 . . . . 0.0 110.987 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.615 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 5.0 t-105 -124.49 -38.21 2.43 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.733 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 28.9 m-85 -90.37 -35.78 0.39 Allowed Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 111.066 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.733 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.1 Cg_endo -75.04 -39.64 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.571 1.827 . . . . 0.0 110.969 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.582 ' HB3' ' H2 ' ' B' ' 1' ' ' HIS . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.107 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' A' ' 22' ' ' LEU . 25.4 pt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.598 HG13 ' N ' ' A' ' 15' ' ' THR . 2.7 t -123.24 156.09 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.892 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.0 149.98 36.08 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.55 1.156 . . . . 0.0 108.313 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.891 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.1 m-70 -84.6 145.6 27.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.609 1.193 . . . . 0.0 109.621 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -112.19 114.8 27.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.605 1.191 . . . . 0.0 110.361 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.865 HG23 ' CG1' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -101.57 -22.68 14.43 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 110.367 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -79.42 -51.0 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.341 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.84 -105.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 110.393 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.858 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -62.48 -161.2 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.053 -179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.858 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.1 Cg_endo -74.99 -55.25 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.404 1.739 . . . . 0.0 111.035 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.951 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.1 OUTLIER 165.94 100.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.377 1.048 . . . . 0.0 109.365 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.434 ' O ' HG13 ' A' ' 14' ' ' VAL . 53.7 p -152.01 139.84 19.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.988 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.891 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.33 97.69 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.367 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.5 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -124.91 128.77 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.386 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.598 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.1 m -47.53 143.24 3.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 110.363 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.758 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.21 178.32 1.29 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 108.315 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.713 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.6 Cg_endo -74.97 -175.34 2.31 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.46 1.768 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.713 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.05 116.38 4.56 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.494 1.786 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.512 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 151.76 -55.43 0.46 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.655 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 43.0 mp0 -67.06 105.76 1.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 0.788 . . . . 0.0 110.264 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -85.92 6.38 28.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.37 1.044 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.755 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.95 -171.3 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.605 1.191 . . . . 0.0 109.295 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.892 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.43 -171.09 1.88 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 108.354 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.541 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.6 p90 -167.37 167.43 13.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.967 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.902 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -136.33 99.06 4.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.338 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.777 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.4 155.76 24.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 0.0 109.353 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.438 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.6 mtt -149.72 149.37 30.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 111.07 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.964 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -166.38 -101.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 -179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.17 119.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.399 1.062 . . . . 0.0 108.301 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.523 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 40.2 t0 -47.71 177.69 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.419 1.075 . . . . 0.0 109.267 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.84 -0.38 13.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.415 1.072 . . . . 0.0 109.338 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.461 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.2 m-85 -120.82 -10.39 9.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.409 1.068 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.587 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 4.6 t 37.5 61.34 1.0 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.474 1.109 . . . . 0.0 108.252 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 71.1 m -59.85 174.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.404 1.065 . . . . 0.0 109.924 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.2 m -72.67 -3.27 23.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.051 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.77 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 2.0 mmp_? -77.22 4.75 9.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.334 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.84 -124.15 7.0 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.601 1.188 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.964 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.2 OUTLIER -97.25 -168.92 1.77 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.342 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.802 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -104.48 -161.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.61 1.194 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.16 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.98 76.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.57 1.169 . . . . 0.0 109.322 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.677 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.5 mt-10 -91.11 68.66 6.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.963 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.54 -176.93 0.51 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.538 1.149 . . . . 0.0 109.255 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.36 -146.92 14.4 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.512 1.133 . . . . 0.0 110.948 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.758 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.8 m -112.41 156.13 23.04 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.436 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.65 144.6 3.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.541 1.151 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.594 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.27 -47.4 65.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.234 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.594 HG23 ' O ' ' A' ' 46' ' ' ALA . 28.3 p -160.3 162.04 33.46 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.412 1.07 . . . . 0.0 110.435 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.14 97.63 0.12 Allowed Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.143 . . . . 0.0 108.328 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.038 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.06 -4.66 15.72 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.474 1.776 . . . . 0.0 110.912 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.21 139.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.409 1.068 . . . . 0.0 109.991 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.855 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.76 -114.78 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.855 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.15 -52.42 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.309 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.741 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.96 -107.28 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 111.048 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.882 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -82.39 -52.54 6.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 110.956 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.731 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.5 mt-10 -37.62 73.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.882 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -87.56 89.55 8.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 110.246 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.038 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.04 157.74 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.423 1.077 . . . . 0.0 109.392 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.4 m -127.34 -146.3 0.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.409 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 13.4 m -152.5 172.01 17.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 108.277 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.91 115.37 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 108.252 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.499 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 19.6 p -110.47 -34.74 6.23 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.414 1.071 . . . . 0.0 110.038 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.23 164.9 0.07 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -70.33 104.02 2.57 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.427 1.08 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.487 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 35.4 mttt 64.86 50.96 1.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.569 1.168 . . . . 0.0 109.253 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.33 27.39 5.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.135 . . . . 0.0 108.291 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.991 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.37 10.77 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 109.348 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.991 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -75.06 69.83 5.5 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.406 1.74 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.16 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.3 p80 -37.36 156.15 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.574 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.7 ' C ' ' HD3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.0 103.27 1.7 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.516 1.798 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 1.086 ' CD ' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -163.76 -38.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.18 . . . . 0.0 109.355 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.681 HE21 ' HZ1' ' A' ' 70' ' ' LYS . 37.1 mt-30 -56.41 78.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.192 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.575 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -159.27 130.06 3.7 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 97.21 1.06 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.469 1.773 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 O-C-N 124.489 1.118 . . . . 0.0 110.97 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.876 ' H3 ' ' CB ' ' B' ' 14' ' ' ASP . 13.1 t-80 . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.697 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -164.63 175.43 9.79 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 -179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.847 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -117.73 40.36 3.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.957 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.77 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -56.9 175.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 110.958 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.508 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -90.6 41.63 1.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . 0.459 ' CB ' ' HD3' ' A' ' 36' ' ' ARG . 23.2 t -145.27 -15.74 0.5 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.97 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.628 ' OG ' ' HB2' ' B' ' 12' ' ' TYR . 11.5 t -164.98 171.65 13.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.091 . . . . 0.0 110.085 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.951 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.5 tm? -130.75 -19.85 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.57 1.169 . . . . 0.0 109.251 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.483 ' C ' ' H ' ' B' ' 11' ' ' TRP . 3.5 mm-40 -84.9 144.39 41.77 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.371 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.519 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.5 Cg_endo -74.95 37.57 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.399 1.736 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.688 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 10.0 t-105 -134.95 -40.31 0.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 107.958 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.778 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 10.9 m-30 -94.69 -32.01 0.28 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.778 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -75.0 -39.64 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.497 1.788 . . . . 0.0 110.986 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.876 ' CB ' ' H3 ' ' B' ' 1' ' ' HIS . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.263 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.651 HD11 ' HA ' ' A' ' 22' ' ' LEU . 34.2 pt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.647 HG13 ' N ' ' A' ' 15' ' ' THR . 3.5 t -128.24 156.67 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.997 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.87 150.65 36.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 108.324 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.873 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.7 m-70 -85.08 146.17 27.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.583 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -112.2 114.34 27.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.604 1.19 . . . . 0.0 110.322 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.966 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -102.8 -17.83 15.4 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.447 179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.609 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.22 -49.38 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.61 -103.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.423 1.077 . . . . 0.0 110.357 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.72 -161.49 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.988 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.99 -54.45 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.419 1.747 . . . . 0.0 111.027 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.098 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.17 103.31 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 0.0 109.282 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.416 ' O ' HG13 ' A' ' 14' ' ' VAL . 48.7 p -154.33 139.22 17.2 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.471 1.107 . . . . 0.0 110.025 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.873 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.83 101.44 5.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 109.249 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.586 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -129.28 126.68 64.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.647 ' N ' HG13 ' A' ' 2' ' ' VAL . 9.1 m -48.01 142.19 5.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.786 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.07 178.69 1.29 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.552 1.157 . . . . 0.0 108.255 -179.915 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.772 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.4 Cg_endo -74.95 -173.2 1.48 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.524 1.802 . . . . 0.0 111.053 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.772 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 17.9 Cg_endo -75.07 115.15 4.19 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.445 1.761 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.504 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.5 -55.72 0.44 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.518 1.136 . . . . 0.0 111.114 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.645 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 40.4 mp0 -67.39 104.47 1.53 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 0.797 . . . . 0.0 110.356 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -84.74 5.95 26.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.754 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.43 -170.48 0.61 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.485 1.115 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.997 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.92 -170.35 1.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.127 . . . . 0.0 108.312 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.528 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.9 p90 -168.42 168.08 11.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.499 1.124 . . . . 0.0 110.952 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.941 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -137.0 99.17 3.94 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.773 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.6 155.5 24.41 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.419 1.075 . . . . 0.0 109.432 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -148.94 152.13 35.83 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.598 1.186 . . . . 0.0 111.087 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.957 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.02 -101.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.154 . . . . 0.0 107.973 -179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.659 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.75 120.33 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 0.0 108.315 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.557 ' OD1' ' NE ' ' B' ' 2' ' ' ARG . 41.3 t0 -48.63 177.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.23 -1.12 13.98 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.125 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.4 m-85 -118.11 -13.96 9.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.155 . . . . 0.0 111.06 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.645 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 2.1 t 37.16 61.49 0.92 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 1.114 . . . . 0.0 108.336 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.7 m -68.24 176.42 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.8 m -68.82 -6.45 26.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.548 1.155 . . . . 0.0 109.951 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.762 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 7.1 mmm180 -71.55 2.93 4.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 110.312 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.73 -128.23 8.8 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.957 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.1 OUTLIER -96.43 -168.49 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 0.734 . . . . 0.0 109.306 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.795 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.77 -163.02 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.14 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.48 77.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.68 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.1 mt-10 -91.55 68.76 5.72 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.336 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.947 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.68 -178.68 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.02 -146.31 12.82 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.412 1.07 . . . . 0.0 111.081 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.786 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 4.7 m -112.54 155.84 23.65 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.46 144.44 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.418 1.074 . . . . 0.0 109.301 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.616 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.0 -47.58 64.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.616 HG23 ' O ' ' A' ' 46' ' ' ALA . 23.6 p -160.35 162.42 33.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 110.338 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.642 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.28 97.5 0.12 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 108.345 179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.036 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -75.01 -4.58 15.61 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.54 1.811 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -24.95 139.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.581 1.176 . . . . 0.0 110.011 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.858 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.64 -114.54 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.858 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.5 -52.43 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.738 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.1 Cg_endo -75.08 -106.92 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.416 1.745 . . . . 0.0 110.98 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.888 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.7 p90 -82.82 -53.05 6.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.739 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.6 mt-10 -36.52 73.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.888 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -87.04 90.42 8.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.282 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.036 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.6 t -98.21 157.6 3.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.528 HG22 ' H ' ' A' ' 59' ' ' CYS . 2.9 m -127.54 -148.15 0.37 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.405 1.066 . . . . 0.0 110.381 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.642 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.9 m -150.59 171.35 17.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 108.285 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -179.69 114.89 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.446 1.091 . . . . 0.0 108.353 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.421 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 14.0 p -110.05 -35.48 6.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.887 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.781 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.28 166.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 110.414 -179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.52 103.52 2.99 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.596 1.185 . . . . 0.0 109.281 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.478 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 20.6 mttm 65.41 51.18 1.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.175 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.95 27.91 5.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.539 1.15 . . . . 0.0 108.211 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.996 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.53 10.06 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.425 1.078 . . . . 0.0 109.309 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.996 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -75.13 69.72 5.57 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.523 1.801 . . . . 0.0 111.041 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.14 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.7 p80 -37.96 157.55 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.516 1.135 . . . . 0.0 109.568 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.666 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -74.95 104.79 1.96 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.531 1.806 . . . . 0.0 111.007 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 1.12 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.76 -43.5 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.323 -179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.572 HE21 ' HZ1' ' A' ' 70' ' ' LYS . 44.9 mt-30 -55.5 84.88 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.479 1.112 . . . . 0.0 110.356 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.702 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . 2.0 ttp180 -146.2 -61.33 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.437 1.086 . . . . 0.0 110.393 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.702 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.1 Cg_endo -74.98 83.82 1.75 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.513 1.796 . . . . 0.0 110.908 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 73' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.504 1.127 . . . . 0.0 111.042 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.625 ' H2 ' ' C ' ' B' ' 14' ' ' ASP . 8.6 t60 . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.696 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -168.38 166.94 12.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.277 -179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.966 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.48 49.16 1.24 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.94 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.762 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.5 m-85 -57.13 -165.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 111.03 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 1.0 OUTLIER -106.8 38.1 2.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.3 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . 0.504 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 33.9 t -146.41 -7.05 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 109.979 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.628 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 13.5 t -169.61 170.03 8.33 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 109.982 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 1.098 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -129.66 -20.23 3.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.395 1.059 . . . . 0.0 109.213 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.503 ' C ' ' H ' ' B' ' 11' ' ' TRP . 1.2 mm-40 -84.7 142.77 39.9 Favored Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.575 1.172 . . . . 0.0 110.319 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.543 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -75.06 32.4 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.448 1.762 . . . . 0.0 110.981 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.627 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -129.96 -37.47 1.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.12 . . . . 0.0 107.99 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 68.4 m-85 -96.14 -34.25 0.27 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.08 . . . . 0.0 111.09 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -74.98 -42.59 0.49 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.625 ' C ' ' H2 ' ' B' ' 1' ' ' HIS . 4.5 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.338 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.634 HD11 ' HA ' ' A' ' 22' ' ' LEU . 28.5 pt . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.642 HG13 ' N ' ' A' ' 15' ' ' THR . 3.2 t -126.87 154.63 37.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.507 1.129 . . . . 0.0 109.364 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -143.78 149.85 37.68 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 108.266 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.9 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.4 m-70 -85.04 146.57 27.11 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.577 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -112.4 115.08 28.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.426 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.966 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.48 -17.69 15.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.451 1.094 . . . . 0.0 110.408 -179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.598 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.5 -50.21 7.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.317 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.58 -103.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.349 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.859 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -64.08 -161.24 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.911 -179.895 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.859 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -74.99 -55.37 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.424 1.749 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.105 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.55 102.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.235 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.414 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.4 p -153.35 138.62 17.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 1.146 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.9 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.93 101.05 5.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.571 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -129.38 126.43 63.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.168 . . . . 0.0 109.199 -179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.642 ' N ' HG13 ' A' ' 2' ' ' VAL . 6.6 m -46.67 142.71 3.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.358 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.77 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.18 178.63 1.27 Allowed Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.542 1.151 . . . . 0.0 108.255 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.757 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -75.01 -173.8 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.563 1.823 . . . . 0.0 110.969 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.757 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.98 116.13 4.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.509 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.18 -57.1 0.43 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.389 1.055 . . . . 0.0 110.982 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.642 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 38.9 mp0 -66.77 105.04 1.46 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 0.798 . . . . 0.0 110.281 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.509 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.4 m120 -84.84 6.34 25.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.74 -171.01 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.47 -170.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.605 1.191 . . . . 0.0 108.287 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.536 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.0 p90 -168.02 167.4 12.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 111.021 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.951 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.46 99.25 4.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.584 1.178 . . . . 0.0 110.312 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.781 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.7 156.33 23.85 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.261 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.467 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.78 152.03 34.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.43 1.081 . . . . 0.0 111.006 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.973 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.05 -101.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 108.109 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.644 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.16 120.62 0.2 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.311 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.552 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.8 t0 -49.53 178.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.391 1.057 . . . . 0.0 109.198 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.56 -0.62 13.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.484 1.115 . . . . 0.0 109.34 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.473 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.1 m-85 -119.61 -11.5 9.42 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 110.896 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.623 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.7 t 35.98 59.64 0.88 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.164 . . . . 0.0 108.264 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -63.57 175.36 1.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.535 1.147 . . . . 0.0 110.014 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 m -69.53 -5.05 21.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 109.931 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.807 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 4.1 mmm180 -73.45 3.09 6.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.91 -126.66 8.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.973 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.4 OUTLIER -96.24 -169.29 1.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.767 . . . . 0.0 109.358 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.799 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -104.38 -163.16 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.423 1.077 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.131 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.06 76.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.209 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.682 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -91.79 69.87 5.61 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.603 1.189 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.951 HD23 ' HG2' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -67.65 -177.9 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.452 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.64 -146.86 13.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.442 1.089 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.77 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 6.1 m -112.39 154.25 26.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -166.74 145.11 5.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 109.36 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.61 ' O ' HG23 ' A' ' 47' ' ' THR . . . -53.01 -47.17 68.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.61 HG23 ' O ' ' A' ' 46' ' ' ALA . 24.1 p -160.23 162.37 33.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 0.0 110.365 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.96 97.63 0.13 Allowed Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.528 1.142 . . . . 0.0 108.243 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.042 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.96 -4.56 15.58 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.478 1.778 . . . . 0.0 110.99 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.556 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -25.12 139.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.063 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.853 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.91 -114.57 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.853 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.52 -52.38 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 109.265 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.735 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.07 -106.33 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.534 1.807 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.896 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.23 -53.13 6.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 110.952 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.721 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.1 mt-10 -37.08 72.76 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.526 1.142 . . . . 0.0 110.344 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.896 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -87.11 89.93 8.17 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.574 1.171 . . . . 0.0 110.221 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.042 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.51 158.27 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.239 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.65 -146.03 0.32 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.442 1.089 . . . . 0.0 110.411 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.637 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 10.9 m -152.8 171.91 17.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 108.336 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.15 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.89 116.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 108.28 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.414 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 18.5 p -111.23 -34.92 6.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.049 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.786 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.78 166.07 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.392 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.69 103.24 3.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.478 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 17.0 mttm 65.83 51.15 1.43 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.489 1.118 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.15 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -99.9 26.97 5.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.244 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 1.022 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.72 9.15 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.322 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.022 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -75.01 69.51 5.54 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.546 1.814 . . . . 0.0 110.934 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.131 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.8 p80 -37.89 158.13 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 109.605 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.663 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -75.03 104.63 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.426 1.751 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 1.129 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.19 -40.13 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.556 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 45.5 mt-30 -60.99 66.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.297 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.656 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . 0.1 OUTLIER -115.71 -60.8 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.272 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.656 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.2 Cg_endo -74.98 107.79 2.57 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.476 1.777 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.579 ' C ' ' CE2' ' B' ' 12' ' ' TYR . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.499 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.73 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 6.4 t-80 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.686 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -166.93 167.43 14.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.966 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.19 49.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.953 -179.915 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.807 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -58.02 -165.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 111.001 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.2 OUTLIER -107.1 39.5 1.86 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.309 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . 0.499 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 12.2 t -149.33 -4.93 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.617 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 10.7 t -171.37 166.53 6.99 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.427 1.08 . . . . 0.0 110.022 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 1.105 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -127.6 -20.79 3.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 11' ' ' TRP . 8.0 mm-40 -83.28 143.4 44.99 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.326 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.478 ' CB ' ' HA ' ' B' ' 1' ' ' HIS . 18.0 Cg_endo -75.11 26.91 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.571 1.827 . . . . 0.0 110.987 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.611 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -126.96 -35.2 2.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 108.002 -179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.747 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 48.6 m-85 -95.93 -34.93 0.27 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.747 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.6 Cg_endo -74.93 -38.02 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.534 1.808 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.73 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 2.4 t0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.569 HD11 ' HA ' ' A' ' 22' ' ' LEU . 27.4 pt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.585 HG13 ' N ' ' A' ' 15' ' ' THR . 2.7 t -123.87 154.5 30.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.45 1.094 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -143.54 149.71 37.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.429 1.081 . . . . 0.0 108.284 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.884 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 20.5 m-70 -84.96 145.0 27.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.604 1.19 . . . . 0.0 109.568 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -110.84 115.35 29.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.969 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.52 -17.65 15.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 110.439 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.601 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.57 -49.98 8.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 109.368 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.02 -103.84 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.852 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.45 -161.56 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.962 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.852 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.0 Cg_endo -75.08 -54.68 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.466 1.772 . . . . 0.0 110.98 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.114 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.87 103.28 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.323 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.454 ' O ' HG13 ' A' ' 14' ' ' VAL . 53.6 p -155.03 138.46 15.88 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.541 1.151 . . . . 0.0 109.972 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.884 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -75.72 97.59 3.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.552 1.157 . . . . 0.0 109.272 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.51 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -124.15 129.2 74.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.509 1.131 . . . . 0.0 109.198 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.585 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.4 m -48.38 143.14 5.01 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 110.346 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.751 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.33 177.85 1.42 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.419 1.074 . . . . 0.0 108.25 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.728 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.2 Cg_endo -74.98 -174.8 2.06 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.475 1.776 . . . . 0.0 111.031 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.728 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -74.99 116.69 4.66 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.531 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 151.57 -56.35 0.45 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 0.0 111.046 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.67 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 11.0 mp0 -66.14 104.86 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 110.325 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -85.11 5.68 28.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.632 1.207 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.77 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.38 -170.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.373 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.88 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -103.94 -171.13 1.88 Allowed 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.538 1.149 . . . . 0.0 108.328 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.546 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.4 p90 -167.3 167.79 13.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.568 1.168 . . . . 0.0 110.946 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.942 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.74 99.09 3.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.589 1.181 . . . . 0.0 110.312 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.783 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.26 156.24 24.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.482 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -149.87 151.51 33.58 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.967 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -168.39 -100.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 108.013 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.26 118.8 0.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 108.317 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.547 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 41.2 t0 -48.47 177.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.02 -0.68 12.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.485 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.9 m-85 -120.61 -9.71 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.001 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.611 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.1 t 35.08 61.42 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 108.398 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 62.5 m -61.18 175.74 0.51 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.493 1.121 . . . . 0.0 110.0 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.4 m -72.46 -2.53 19.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 109.993 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.794 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 1.4 mmp_? -77.43 5.52 8.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.074 . . . . 0.0 110.206 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.15 -124.56 7.08 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.488 1.118 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.967 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -97.91 -169.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.368 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.806 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -103.49 -163.27 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.12 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.06 76.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.678 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -91.22 69.21 6.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.223 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.96 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.87 -178.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.457 ' O ' ' HB3' ' A' ' 3' ' ' CYS . . . 159.1 -146.61 13.25 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.753 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 5.8 m -112.38 155.42 24.2 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.462 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.14 145.27 4.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.319 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.607 ' O ' HG23 ' A' ' 47' ' ' THR . . . -53.7 -46.6 70.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.523 1.139 . . . . 0.0 109.333 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.607 HG23 ' O ' ' A' ' 46' ' ' ALA . 25.5 p -160.39 162.03 33.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.375 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.52 97.76 0.13 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 108.306 179.906 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.032 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -75.02 -4.38 15.31 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.477 1.777 . . . . 0.0 110.978 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.558 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.26 139.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.59 1.181 . . . . 0.0 109.994 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.859 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.84 -114.3 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.415 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.859 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 1.7 mptt -156.75 -52.52 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.435 1.085 . . . . 0.0 109.356 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.732 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.97 -106.97 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.526 1.803 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.884 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -82.65 -52.68 6.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.581 1.175 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.733 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.7 mt-10 -37.41 73.22 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.884 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -87.49 90.36 8.34 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.562 1.164 . . . . 0.0 110.28 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.032 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.6 t -97.83 157.94 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 109.237 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.5 m -127.12 -145.55 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.533 1.146 . . . . 0.0 110.359 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.641 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.6 m -153.27 171.87 17.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 108.317 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.85 114.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 108.304 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.477 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 21.2 p -109.66 -33.56 6.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 109.982 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.779 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -50.32 166.41 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.36 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.57 104.15 3.21 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.471 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 36.4 mttt 64.48 51.59 1.97 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 109.344 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.179 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -100.09 27.0 5.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.33 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 1.02 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.85 9.05 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.1 . . . . 0.0 109.236 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.02 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.7 Cg_endo -74.97 68.86 5.66 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.496 1.787 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.131 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.6 p80 -37.6 158.04 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.481 1.113 . . . . 0.0 109.563 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.634 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.3 Cg_endo -75.01 104.17 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 111.081 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 1.131 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.87 -38.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.099 . . . . 0.0 109.284 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.568 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 44.1 mt-30 -61.76 61.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 110.319 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.636 ' N ' ' O ' ' A' ' 70' ' ' LYS . 7.7 ttt180 -102.49 -57.25 0.1 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.353 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.603 ' HB2' ' CD2' ' B' ' 12' ' ' TYR . 18.5 Cg_endo -74.99 53.08 3.22 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.48 1.779 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 O-C-N 124.453 1.096 . . . . 0.0 110.96 -179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.536 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 39.4 t60 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.71 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -175.74 166.64 3.14 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 0.0 110.306 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.969 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.47 49.08 1.18 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.995 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.794 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.0 m-85 -58.87 -164.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 111.019 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.497 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -107.74 41.13 1.57 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.318 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -152.9 -1.63 0.24 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 110.014 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.669 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 5.2 t -173.9 164.44 4.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.011 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 1.114 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -127.01 -21.49 3.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.497 ' C ' ' H ' ' B' ' 11' ' ' TRP . 2.9 mm-40 -83.11 143.41 45.5 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.393 1.058 . . . . 0.0 110.349 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.528 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -75.01 34.35 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.525 1.803 . . . . 0.0 110.969 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.68 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.1 OUTLIER -134.02 -37.67 0.89 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.774 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 71.5 m-85 -95.29 -32.12 0.27 Allowed Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.774 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.6 Cg_endo -74.98 -41.15 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.536 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.625 HD11 ' HA ' ' A' ' 22' ' ' LEU . 27.9 pt . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.608 HG13 ' N ' ' A' ' 15' ' ' THR . 3.4 t -124.12 157.47 31.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.914 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.9 m -145.81 149.97 35.33 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.097 . . . . 0.0 108.316 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.886 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.7 m-70 -84.82 146.93 27.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.492 1.12 . . . . 0.0 109.635 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -113.77 115.15 27.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 0.0 110.419 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.943 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.69 -23.11 14.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.413 1.07 . . . . 0.0 110.455 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -79.01 -51.18 9.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -72.1 -104.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.458 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.7 OUTLIER -63.91 -161.24 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.418 1.074 . . . . 0.0 110.076 179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -75.05 -54.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.468 1.772 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.954 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.58 101.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.429 1.081 . . . . 0.0 109.353 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.425 ' O ' HG13 ' A' ' 14' ' ' VAL . 62.5 p -152.69 140.23 19.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.985 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.886 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.8 99.61 5.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.554 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.1 127.73 71.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.608 ' N ' HG13 ' A' ' 2' ' ' VAL . 8.3 m -48.47 142.29 5.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.146 . . . . 0.0 110.396 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.761 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -99.0 178.55 1.26 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 108.285 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.738 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -74.91 -174.47 1.93 Allowed 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.523 1.801 . . . . 0.0 111.067 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.738 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.2 Cg_endo -75.04 115.53 4.31 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.482 1.78 . . . . 0.0 110.954 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.516 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 153.08 -56.93 0.43 Allowed Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.464 1.103 . . . . 0.0 111.006 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.629 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.8 mp0 -66.4 104.61 1.26 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.605 0.826 . . . . 0.0 110.344 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.4 m120 -85.13 9.21 15.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.023 HD11 ' SG ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -175.99 -168.11 0.26 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.914 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -106.86 -171.05 1.81 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 108.333 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.534 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.4 p90 -166.14 167.68 16.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 110.974 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.881 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -137.12 99.46 4.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.147 . . . . 0.0 110.372 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.765 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -83.12 155.53 23.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.355 -179.926 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.474 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.6 mtt -149.83 148.61 29.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.411 1.069 . . . . 0.0 111.008 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.965 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -165.51 -101.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.56 121.53 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 108.342 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.556 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 42.9 t0 -48.76 178.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.372 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.73 -0.44 13.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.242 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.8 m-85 -117.94 -16.13 9.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.644 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 2.0 t 37.3 61.6 0.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 108.317 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 73.0 m -73.41 176.96 5.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.969 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 37' ' ' GLY . 8.6 m -63.88 -10.04 18.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.083 . . . . 0.0 109.926 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.788 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 8.0 mmm180 -67.31 -0.1 3.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.268 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 85.36 -129.3 9.2 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.965 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.9 OUTLIER -95.16 -168.48 1.81 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.486 0.757 . . . . 0.0 109.303 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.791 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -106.28 -161.52 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 109.305 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.166 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -154.21 77.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.257 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.689 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.4 mt-10 -92.51 68.36 4.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.252 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.984 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -65.95 -175.97 0.35 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 0.0 109.383 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.485 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.09 -148.55 18.42 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.484 1.115 . . . . 0.0 110.974 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.761 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 8.0 m -109.93 154.95 22.38 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -170.69 143.29 2.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.567 1.167 . . . . 0.0 109.352 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.592 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -51.26 -46.54 62.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 109.287 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.592 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 43.2 p -159.85 161.41 34.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.857 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.9 OUTLIER -37.89 99.36 0.18 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 108.291 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.031 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -75.02 0.68 8.62 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.578 1.831 . . . . 0.0 111.018 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -27.02 140.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.951 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.863 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -95.5 -113.75 0.12 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.409 1.068 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.863 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -156.54 -52.75 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.529 1.143 . . . . 0.0 109.37 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.722 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -75.01 -106.38 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.527 1.804 . . . . 0.0 111.069 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.902 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.17 -52.52 6.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.93 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.693 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.0 mt-10 -38.07 72.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.578 1.174 . . . . 0.0 110.326 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.902 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -87.11 88.6 7.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.031 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.13 158.49 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.348 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.464 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 1.1 m -131.89 -155.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 110.316 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 1.023 ' SG ' HD11 ' A' ' 22' ' ' LEU . 1.2 m -140.47 176.64 8.61 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 108.246 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.197 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 177.06 112.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 108.278 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.487 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 9.3 p -108.11 -35.89 6.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.079 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.752 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.03 160.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 110.409 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -66.5 104.11 1.19 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.489 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 32.5 mttt 64.22 51.91 2.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 109.36 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.197 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.7 p -99.23 27.01 5.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 108.293 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.996 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.17 10.86 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 109.216 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.996 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -74.9 69.08 5.55 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.416 1.745 . . . . 0.0 111.036 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.166 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.4 p80 -37.75 157.16 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.644 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.633 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.2 Cg_endo -74.96 103.25 1.7 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.434 1.755 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 1.133 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.68 -39.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.353 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.579 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 44.2 mt-30 -57.67 75.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.589 ' N ' ' O ' ' A' ' 70' ' ' LYS . 18.8 ttt85 -162.2 140.17 6.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.447 ' HD2' ' CG ' ' A' ' 72' ' ' ARG . 18.5 Cg_endo -74.98 105.87 2.17 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.608 1.846 . . . . 0.0 111.038 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.959 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.682 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 3.4 t-160 . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.653 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -158.56 171.6 19.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 0.0 110.302 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.943 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -117.77 40.81 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 111.12 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.788 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.4 m-85 -52.45 -175.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 7.7 pt-20 -99.49 34.78 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . 0.503 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 19.3 t -144.43 2.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.922 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.726 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 22.3 t -179.0 166.09 1.56 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 110.027 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.954 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.1 tm? -126.6 -27.34 3.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 11' ' ' TRP . 0.7 OUTLIER -77.74 144.53 69.11 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.584 1.178 . . . . 0.0 110.286 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.572 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -74.99 29.04 0.36 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.422 1.749 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.628 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 2.5 t90 -128.5 -37.85 1.77 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.75 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 4.0 m-30 -94.53 -34.64 0.29 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.987 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.75 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.7 Cg_endo -74.88 -41.81 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.682 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.608 HD11 ' HA ' ' A' ' 22' ' ' LEU . 26.9 pt . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.656 HG13 ' N ' ' A' ' 15' ' ' THR . 2.8 t -122.27 152.13 26.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.466 1.104 . . . . 0.0 109.345 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.06 149.21 36.26 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.57 1.169 . . . . 0.0 108.395 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.936 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 20.7 m-70 -85.08 145.66 27.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.593 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -111.85 114.96 28.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.389 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.962 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.42 -17.67 15.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.414 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.611 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.54 -49.28 8.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.425 1.078 . . . . 0.0 109.254 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.9 -104.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.155 . . . . 0.0 110.446 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.849 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.16 -161.57 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.024 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.849 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.2 Cg_endo -75.0 -54.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.512 1.796 . . . . 0.0 111.001 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.13 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.77 102.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 53.2 p -152.75 138.91 18.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.532 1.145 . . . . 0.0 110.011 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.936 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -78.28 103.37 8.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.218 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.612 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -130.95 127.3 61.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.656 ' N ' HG13 ' A' ' 2' ' ' VAL . 9.7 m -49.01 141.91 7.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 110.424 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.714 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.15 177.87 1.54 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 108.334 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.755 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.95 -173.43 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.53 1.805 . . . . 0.0 110.964 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.755 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.5 Cg_endo -75.0 112.63 3.61 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.508 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 156.49 -57.37 0.38 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.114 . . . . 0.0 110.981 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.664 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 3.6 mp0 -67.0 103.87 1.26 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 0.747 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.508 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -83.47 7.43 16.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.761 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -175.81 -171.39 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.416 1.073 . . . . 0.0 109.275 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.839 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -103.77 -169.52 1.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.281 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.544 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 17.4 p90 -168.17 167.15 12.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.06 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.935 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.41 99.07 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.774 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.37 156.53 24.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.489 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -150.03 151.67 33.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.477 1.111 . . . . 0.0 111.017 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.977 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -168.24 -101.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 0.0 107.984 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.679 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -177.0 118.25 0.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 108.25 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 46.7 t0 -48.81 176.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.612 1.195 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.512 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -71.3 -1.16 11.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.433 1.083 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.7 m-85 -119.13 -10.38 9.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 1.091 . . . . 0.0 110.966 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.624 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.2 t 34.83 60.36 0.65 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 108.366 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.6 m -59.57 175.69 0.33 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 110.028 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.6 m -72.52 -2.01 18.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 110.091 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.775 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.8 mmp_? -78.09 5.12 10.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.13 -124.34 6.98 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.557 1.16 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.977 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 1.7 mmtt -97.69 -168.67 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 0.0 109.299 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.79 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.8 t -104.24 -164.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 109.344 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.124 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -152.4 76.28 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.302 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.679 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -90.85 68.56 6.35 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.948 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.62 -178.44 0.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 109.397 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.44 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 159.52 -146.49 12.93 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.723 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 5.6 m -112.0 155.65 23.42 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.493 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -168.8 144.83 3.52 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.532 1.145 . . . . 0.0 109.388 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.586 ' O ' HG23 ' A' ' 47' ' ' THR . . . -53.53 -46.87 70.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.585 1.178 . . . . 0.0 109.314 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 46' ' ' ALA . 27.8 p -159.95 162.83 34.5 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.61 1.194 . . . . 0.0 110.405 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -35.29 97.98 0.14 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 108.275 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.041 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.2 Cg_endo -75.05 -4.01 14.76 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.58 1.832 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.555 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.54 139.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.424 1.078 . . . . 0.0 109.956 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.851 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.94 -114.69 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.851 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.26 -52.49 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.739 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.03 -106.07 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.498 1.788 . . . . 0.0 111.062 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.903 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.5 -53.37 5.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.408 1.068 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.726 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.3 mt-10 -36.51 72.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.903 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -86.71 89.99 8.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.26 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.041 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.33 158.55 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.2 m -127.62 -144.98 0.3 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 110.408 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.626 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.6 m -153.66 172.0 17.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 108.325 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.77 115.07 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 108.255 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.2 p -110.31 -34.44 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.048 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.784 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.22 165.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.42 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.52 102.28 2.66 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.465 ' HG2' ' CB ' ' A' ' 13' ' ' ALA . 37.7 mttt 67.37 51.18 0.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.364 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.153 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -100.38 26.79 6.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.568 1.168 . . . . 0.0 108.281 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 1.01 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.48 8.58 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 1.01 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.6 Cg_endo -74.86 69.87 5.32 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.393 1.733 . . . . 0.0 110.965 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.124 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.9 p80 -38.53 158.01 0.1 Allowed Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.634 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.68 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 17.9 Cg_endo -75.14 105.43 2.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.537 1.809 . . . . 0.0 110.959 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 1.112 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -161.95 -40.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.313 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.703 HE21 ' HZ1' ' A' ' 70' ' ' LYS . 39.7 mt-30 -56.92 77.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.098 . . . . 0.0 110.255 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.569 ' N ' ' O ' ' A' ' 70' ' ' LYS . 20.5 ttm-85 -166.02 138.71 3.3 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.153 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 107.06 2.4 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 111.054 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.956 -179.933 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.767 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.718 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -173.89 168.95 4.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 110.216 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.962 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -117.93 48.55 1.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.637 1.211 . . . . 0.0 110.962 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.775 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.2 m-85 -59.66 -165.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.448 1.092 . . . . 0.0 110.983 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.504 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -106.51 41.37 1.45 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.54 1.15 . . . . 0.0 110.277 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -149.16 -9.68 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.972 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.615 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 12.3 t -167.93 168.98 11.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 110.032 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 1.13 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.7 tm? -129.99 -16.16 3.7 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.49 ' C ' ' H ' ' B' ' 11' ' ' TRP . 55.4 mm-40 -88.09 144.21 34.13 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 110.257 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.527 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.3 Cg_endo -74.97 36.54 0.44 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.469 1.773 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.679 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.5 t90 -135.14 -38.61 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 1.152 . . . . 0.0 108.001 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.768 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 7.8 m-30 -94.75 -32.36 0.28 Allowed Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 110.955 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.768 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.99 -42.49 0.5 Allowed 'Trans proline' 0 C--N 1.358 1.076 0 O-C-N 124.559 1.821 . . . . 0.0 110.967 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.767 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.245 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.626 HD11 ' HA ' ' A' ' 22' ' ' LEU . 30.4 pt . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.603 HG13 ' N ' ' A' ' 15' ' ' THR . 3.5 t -124.1 156.68 31.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.444 1.09 . . . . 0.0 109.192 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.878 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.07 150.41 36.79 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.45 1.094 . . . . 0.0 108.309 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.891 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.7 m-70 -84.89 147.41 26.79 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.591 1.182 . . . . 0.0 109.56 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -114.46 114.64 26.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.553 1.158 . . . . 0.0 110.475 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.938 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.03 -23.57 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 110.403 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.531 ' HB2' ' OE1' ' A' ' 41' ' ' GLU . . . -78.36 -51.37 10.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 109.332 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.48 -105.23 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.534 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.843 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -61.96 -161.9 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 110.006 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.843 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -75.11 -54.07 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.087 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.96 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.3 100.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.352 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 14' ' ' VAL . 57.0 p -153.44 140.86 19.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.148 . . . . 0.0 110.021 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.891 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.01 100.89 5.79 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.558 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -126.7 127.68 70.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.603 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.9 m -48.18 142.4 5.39 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.48 1.113 . . . . 0.0 110.37 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.739 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -99.76 178.33 1.3 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.574 1.171 . . . . 0.0 108.329 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.738 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.5 Cg_endo -75.01 -174.39 1.92 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.459 1.768 . . . . 0.0 111.043 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.738 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -74.93 115.88 4.42 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.531 1.806 . . . . 0.0 110.991 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.547 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.62 -57.25 0.43 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.594 1.184 . . . . 0.0 111.028 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.634 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.6 mp0 -65.86 104.46 1.09 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.535 0.785 . . . . 0.0 110.46 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -85.28 9.65 14.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.449 1.093 . . . . 0.0 109.28 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.019 HD11 ' SG ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -176.45 -167.39 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.301 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.878 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -107.62 -171.33 1.85 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.456 1.097 . . . . 0.0 108.342 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.549 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.2 p90 -165.78 168.52 15.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.874 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -137.87 99.24 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.581 1.175 . . . . 0.0 110.317 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.778 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -82.61 155.78 24.25 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.383 1.052 . . . . 0.0 109.349 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.489 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.7 mtt -149.95 149.5 30.49 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 111.05 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.961 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -166.28 -100.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 107.981 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.667 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.38 121.22 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 108.298 -179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.552 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 43.7 t0 -48.83 177.98 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.67 -1.77 17.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.289 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.466 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.7 m-85 -119.1 -11.42 9.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 1.159 . . . . 0.0 110.95 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.614 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.1 t 36.7 61.32 0.86 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 108.295 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 72.4 m -65.26 175.96 1.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.041 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.5 m -69.84 -5.39 25.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.548 1.155 . . . . 0.0 110.03 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.811 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 4.7 mmm180 -73.31 3.58 5.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.66 -127.56 8.45 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.432 1.083 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.961 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.6 OUTLIER -95.82 -167.93 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 0.776 . . . . 0.0 109.322 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.796 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -105.21 -161.4 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.164 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -154.3 77.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.692 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.3 mt-10 -92.4 69.05 5.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.992 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -66.69 -175.75 0.42 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.566 1.166 . . . . 0.0 109.307 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.506 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.05 -147.98 17.06 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.564 1.165 . . . . 0.0 111.008 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.739 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 7.4 m -110.29 155.0 22.67 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.304 -0.998 . . . . 0.0 108.304 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -170.94 142.64 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.598 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -50.74 -46.34 59.21 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.296 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.598 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 41.9 p -160.06 161.02 33.82 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.434 1.084 . . . . 0.0 110.413 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.84 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.8 OUTLIER -37.52 99.26 0.18 Allowed Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.167 . . . . 0.0 108.272 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.03 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -74.96 0.79 8.46 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.505 1.792 . . . . 0.0 110.964 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.547 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -26.7 139.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.429 1.081 . . . . 0.0 110.083 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.848 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -94.75 -114.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.848 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.15 -53.13 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.719 ' HD3' ' HB2' ' A' ' 52' ' ' LYS . 18.1 Cg_endo -75.04 -106.88 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.531 1.806 . . . . 0.0 110.992 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.903 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.4 p90 -82.46 -52.49 6.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.699 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 19.2 mt-10 -38.31 72.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 110.244 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.903 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.2 OUTLIER -87.35 88.8 7.78 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 110.245 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.03 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.89 159.08 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 109.351 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.499 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 1.4 m -132.06 -155.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.444 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 1.019 ' SG ' HD11 ' A' ' 22' ' ' LEU . 1.2 m -140.96 175.81 9.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 108.358 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.205 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 177.45 111.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 108.369 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.504 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 8.8 p -108.12 -35.22 6.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 110.082 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.754 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.97 160.32 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 110.433 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.83 104.4 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.299 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.477 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 30.3 mttt 63.99 52.22 2.11 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.546 1.154 . . . . 0.0 109.217 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.205 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.8 p -99.73 27.61 5.28 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.507 1.129 . . . . 0.0 108.32 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.995 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -110.08 10.92 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.404 1.065 . . . . 0.0 109.333 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.995 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.1 Cg_endo -74.96 69.41 5.53 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.53 1.805 . . . . 0.0 110.939 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.164 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.6 p80 -38.93 157.82 0.11 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.638 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.614 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.99 103.73 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.487 1.783 . . . . 0.0 111.021 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 1.16 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -159.87 -39.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.593 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 45.6 mt-30 -58.33 75.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.579 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.3 OUTLIER -157.59 132.57 5.47 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.097 . . . . 0.0 110.29 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 95.49 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.445 1.761 . . . . 0.0 110.99 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.477 1.111 . . . . 0.0 110.957 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.767 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 6.5 m-70 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.665 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -171.3 171.87 5.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.631 1.207 . . . . 0.0 110.344 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.938 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -118.87 42.09 2.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 111.064 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.811 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.2 m-85 -54.23 -171.7 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.539 1.149 . . . . 0.0 111.026 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.429 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -102.7 38.58 1.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.144 . . . . 0.0 110.315 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . 0.481 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 29.0 t -154.18 13.6 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.841 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 13.2 t 171.77 159.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.928 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.96 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.2 tm? -123.55 -27.17 4.08 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.509 ' C ' ' H ' ' B' ' 11' ' ' TRP . 0.4 OUTLIER -75.73 145.63 78.69 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.498 ' CB ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.05 23.7 0.4 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.503 1.791 . . . . 0.0 110.986 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.635 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -126.12 -36.99 2.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.75 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.7 m-30 -92.47 -34.51 0.34 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 111.05 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.75 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -74.96 -40.63 0.85 Allowed 'Trans proline' 0 C--N 1.358 1.066 0 O-C-N 124.526 1.803 . . . . 0.0 110.923 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.767 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.634 HD11 ' HA ' ' A' ' 22' ' ' LEU . 29.3 pt . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.625 HG13 ' N ' ' A' ' 15' ' ' THR . 3.1 t -126.97 155.66 37.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.533 1.146 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.902 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -145.17 149.27 34.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.165 . . . . 0.0 108.26 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.883 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 20.6 m-70 -84.18 146.22 27.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.446 1.091 . . . . 0.0 109.632 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -112.31 115.63 29.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.952 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.83 -17.77 14.92 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.501 1.126 . . . . 0.0 110.356 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.595 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -84.47 -49.6 8.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 109.357 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.31 -103.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.365 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.855 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.98 -161.52 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.106 . . . . 0.0 109.921 -179.857 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.855 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.5 Cg_endo -74.83 -54.89 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.59 1.837 . . . . 0.0 111.075 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.085 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 166.08 103.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.266 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.422 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.2 p -154.37 139.29 17.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.964 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.883 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -76.78 99.96 5.3 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 1.135 . . . . 0.0 109.374 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.559 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.86 127.28 67.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.625 ' N ' HG13 ' A' ' 2' ' ' VAL . 6.7 m -47.5 142.75 4.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.412 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.778 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -98.4 178.68 1.25 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 108.26 -179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.752 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.6 Cg_endo -74.89 -174.09 1.79 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.424 1.75 . . . . 0.0 111.095 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.752 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.05 114.98 4.15 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.455 1.766 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.517 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 153.13 -56.36 0.43 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.572 1.17 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.673 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 40.5 mp0 -66.97 104.6 1.42 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 0.73 . . . . 0.0 110.337 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.517 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -84.49 5.38 27.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.351 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.752 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -172.85 -170.94 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.226 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.902 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 1.9 m -103.2 -170.21 1.76 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 108.263 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.54 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.0 p90 -168.54 167.21 11.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.437 1.086 . . . . 0.0 110.942 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.947 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -136.23 99.52 4.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.771 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.89 156.51 23.52 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.469 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.7 mtt -149.87 152.28 34.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 111.05 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.973 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.39 -101.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 107.996 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.641 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -174.71 120.21 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 108.334 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.546 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 43.2 t0 -49.14 178.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.31 -1.13 14.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.577 1.173 . . . . 0.0 109.302 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.459 ' O ' ' C ' ' A' ' 33' ' ' CYS . 6.1 m-85 -118.11 -13.5 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.441 1.088 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.659 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 1.9 t 36.26 60.58 0.86 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 108.352 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 69.2 m -67.45 175.89 2.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.019 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 37' ' ' GLY . 15.1 m -67.44 -6.68 20.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.787 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 6.1 mmm180 -71.34 3.73 3.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 35' ' ' SER . . . 85.03 -126.16 7.55 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.973 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -97.72 -168.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.553 0.796 . . . . 0.0 109.268 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.803 HG12 ' H ' ' A' ' 40' ' ' VAL . 2.0 t -104.95 -162.86 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.41 1.069 . . . . 0.0 109.274 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.132 HG11 ' CB ' ' A' ' 68' ' ' HIS . 2.0 t -153.44 76.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.331 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.682 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.0 mt-10 -91.46 69.56 5.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.272 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.96 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -67.18 -177.82 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.45 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.43 -147.29 14.82 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 110.937 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.778 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 5.4 m -111.96 154.08 25.81 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -166.4 145.31 5.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.379 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.599 ' O ' HG23 ' A' ' 47' ' ' THR . . . -53.2 -47.24 69.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 46' ' ' ALA . 27.1 p -160.47 161.47 32.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.458 1.099 . . . . 0.0 110.411 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -33.83 97.54 0.12 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.538 1.149 . . . . 0.0 108.291 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.035 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.6 Cg_endo -74.97 -4.64 15.71 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.564 1.823 . . . . 0.0 111.014 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.559 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.02 138.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 109.989 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.866 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.35 -114.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.283 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.866 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.1 OUTLIER -156.75 -52.39 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.734 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -74.96 -106.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.395 1.734 . . . . 0.0 110.944 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.887 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -83.07 -53.1 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.941 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.731 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -37.0 73.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.305 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.887 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -87.11 90.41 8.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.248 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.035 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.01 158.34 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.95 -146.32 0.32 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.516 1.135 . . . . 0.0 110.477 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.639 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 11.3 m -152.56 171.84 17.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 108.323 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.94 115.12 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 108.33 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.415 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 9.8 p -110.21 -34.28 6.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.982 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.78 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -49.27 166.19 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 110.395 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.15 102.46 3.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.48 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 31.9 mttt 66.88 51.02 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.208 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.169 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.5 p -99.82 27.51 5.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 108.33 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.996 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.28 9.8 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.996 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -74.9 68.67 5.64 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.478 1.778 . . . . 0.0 110.996 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.156 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 2.8 p80 -38.09 157.84 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.616 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.4 Cg_endo -74.96 104.36 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.376 1.724 . . . . 0.0 111.027 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 1.156 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -159.67 -38.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.244 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.592 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 43.5 mt-30 -62.31 59.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.142 . . . . 0.0 110.265 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.639 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -98.14 -49.48 0.22 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.138 . . . . 0.0 110.298 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.624 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.6 Cg_endo -74.93 159.61 41.36 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.557 1.819 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.537 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 2.2 t60 . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.693 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER 177.11 165.76 0.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.381 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.952 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -115.32 50.01 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.787 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.1 m-85 -59.1 -164.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.115 . . . . 0.0 111.013 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 0.6 OUTLIER -107.12 38.18 2.18 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.616 1.197 . . . . 0.0 110.283 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . 0.426 ' HB3' ' NE ' ' A' ' 36' ' ' ARG . 32.8 t -153.05 6.09 0.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.601 1.188 . . . . 0.0 110.028 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.793 ' H ' ' HB3' ' A' ' 70' ' ' LYS . 1.3 t -179.21 162.13 1.17 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.472 1.108 . . . . 0.0 109.975 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 1.085 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.8 tm? -126.34 -23.71 3.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.487 ' C ' ' H ' ' B' ' 11' ' ' TRP . 2.2 mm-40 -83.08 143.21 45.25 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 110.319 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.493 ' HB3' ' HA ' ' B' ' 1' ' ' HIS . 18.4 Cg_endo -74.97 36.99 0.45 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.433 1.754 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.697 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.0 OUTLIER -136.46 -37.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 107.984 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.785 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 5.5 m-85 -96.93 -30.67 0.26 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.785 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -74.93 -43.99 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.545 1.813 . . . . 0.0 111.044 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.537 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.423 1.077 . . . . 0.0 109.348 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.627 HD11 ' HA ' ' A' ' 22' ' ' LEU . 25.8 pt . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.625 HG13 ' N ' ' A' ' 15' ' ' THR . 2.5 t -124.08 153.99 30.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.79 149.74 35.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.385 1.053 . . . . 0.0 108.271 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.894 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.6 m-70 -84.33 145.68 28.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.536 1.147 . . . . 0.0 109.607 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -113.09 114.75 27.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.405 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.879 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.23 -24.43 14.25 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.572 1.17 . . . . 0.0 110.484 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.528 ' HB2' ' OE1' ' A' ' 41' ' ' GLU . . . -77.5 -50.66 12.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.351 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.95 -104.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.399 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.14 -161.27 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.582 1.176 . . . . 0.0 110.036 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.4 Cg_endo -74.97 -55.13 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.421 1.748 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.911 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.1 OUTLIER 165.9 100.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.586 1.179 . . . . 0.0 109.27 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.409 ' O ' HG13 ' A' ' 14' ' ' VAL . 55.6 p -151.26 139.99 20.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 109.969 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.894 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.25 100.08 5.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 0.0 109.335 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.517 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -127.5 128.3 69.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.301 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.625 ' N ' HG13 ' A' ' 2' ' ' VAL . 4.3 m -47.37 143.27 3.56 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.391 1.057 . . . . 0.0 110.461 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.757 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.0 177.61 1.5 Allowed Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.537 1.148 . . . . 0.0 108.303 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.731 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.3 Cg_endo -74.98 -174.54 1.97 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.484 1.781 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.731 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 17.9 Cg_endo -75.1 116.11 4.47 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.536 1.809 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.498 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 152.75 -57.09 0.43 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.507 1.13 . . . . 0.0 111.014 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.64 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 37.6 mp0 -67.17 105.65 1.77 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 0.773 . . . . 0.0 110.277 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -85.19 6.01 27.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.766 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -173.22 -170.89 0.67 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 1.078 . . . . 0.0 109.319 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.893 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.0 m -104.04 -170.52 1.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 108.32 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.532 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.7 p90 -167.56 167.84 13.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.386 1.054 . . . . 0.0 111.068 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.871 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.79 98.65 3.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 110.253 -179.921 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.769 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.36 155.44 24.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.439 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.7 mtt -149.75 149.27 30.3 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.496 1.122 . . . . 0.0 111.024 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.95 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -165.58 -101.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.669 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.78 119.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 108.224 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 44.7 t0 -48.26 175.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.506 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -70.58 -2.28 13.72 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.422 1.076 . . . . 0.0 109.218 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 33' ' ' CYS . 4.5 m-85 -117.9 -12.73 10.12 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.624 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.3 t 38.4 60.09 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 108.286 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.6 m -59.17 175.82 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.8 m -74.26 -0.86 18.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.752 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 2.3 mmp_? -79.2 5.69 11.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.347 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.79 -125.93 7.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.105 . . . . 0.0 111.059 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.95 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.7 OUTLIER -97.13 -168.81 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 0.775 . . . . 0.0 109.302 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.79 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.79 -161.72 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.17 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.75 77.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 0.0 109.25 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.684 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.2 mt-10 -92.08 67.85 5.14 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.585 1.178 . . . . 0.0 110.297 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.967 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.2 OUTLIER -66.1 -176.92 0.45 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.42 1.075 . . . . 0.0 109.331 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 157.27 -147.43 15.61 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.458 1.099 . . . . 0.0 111.032 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.757 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 6.6 m -111.97 154.79 24.75 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -167.35 144.16 4.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.598 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.18 -46.91 65.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 46' ' ' ALA . 27.4 p -160.38 163.15 33.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.564 1.165 . . . . 0.0 110.421 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -35.72 97.85 0.14 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 108.301 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.055 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.3 Cg_endo -74.99 -4.58 15.62 Favored 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.328 1.699 . . . . 0.0 110.951 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.561 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -24.98 139.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.167 . . . . 0.0 109.95 -179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.85 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.97 -114.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.6 1.187 . . . . 0.0 109.266 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.85 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 1.8 mptt -156.33 -52.44 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.737 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.5 Cg_endo -74.95 -106.75 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.451 1.764 . . . . 0.0 110.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.907 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.15 -52.45 6.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 0.0 110.963 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.734 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 18.0 mt-10 -37.4 72.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 110.232 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.907 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -86.65 90.36 8.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 110.287 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.055 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.84 158.41 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.55 -145.93 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.47 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.643 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 10.4 m -152.88 171.95 17.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.449 1.093 . . . . 0.0 108.333 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.77 114.6 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 108.319 -179.934 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.431 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 6.9 p -109.75 -35.18 6.25 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.419 1.074 . . . . 0.0 109.987 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.783 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.68 165.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.544 1.152 . . . . 0.0 110.356 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.01 103.3 3.2 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.429 1.081 . . . . 0.0 109.252 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 32.7 mttt 66.41 50.41 1.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.157 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.41 27.25 5.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.442 1.089 . . . . 0.0 108.315 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.991 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -109.24 11.24 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.282 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.991 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -74.98 70.17 5.35 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.17 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.5 p80 -37.27 156.87 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.554 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.688 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 17.9 Cg_endo -75.01 103.15 1.68 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.513 1.797 . . . . 0.0 110.943 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 1.082 ' CD ' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -163.31 -40.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 109.269 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.742 HE21 ' HZ1' ' A' ' 70' ' ' LYS . 34.1 mt-30 -53.53 80.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.436 1.085 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.595 ' N ' ' O ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -166.69 134.21 2.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.3 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.475 ' HA ' ' CE2' ' B' ' 12' ' ' TYR . 18.0 Cg_endo -75.02 116.69 4.66 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.511 1.795 . . . . 0.0 110.968 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 0.0 111.052 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.649 ' H3 ' ' CG ' ' B' ' 14' ' ' ASP . 11.5 t60 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.658 ' NH1' ' CE2' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -160.89 172.45 16.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.175 . . . . 0.0 110.254 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.879 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -117.57 41.38 2.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 111.008 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.752 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.1 m-85 -56.5 175.09 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.389 1.056 . . . . 0.0 111.03 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.484 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -88.76 40.33 0.97 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.466 1.104 . . . . 0.0 110.272 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 36.2 t -143.29 -12.22 0.72 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.606 1.191 . . . . 0.0 110.088 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.638 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 41.5 t -170.37 170.63 7.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.018 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.911 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.4 tm? -126.09 -26.36 3.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 11' ' ' TRP . 17.9 mm-40 -81.17 144.88 55.11 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.138 . . . . 0.0 110.351 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.58 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.2 Cg_endo -74.99 26.86 0.36 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.517 1.799 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.592 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 0.2 OUTLIER -125.38 -37.54 2.36 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.535 1.147 . . . . 0.0 108.064 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.736 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 6.5 m-85 -95.09 -35.83 0.28 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 111.025 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.736 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.5 Cg_endo -75.08 -38.05 1.72 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.473 1.775 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.649 ' CG ' ' H3 ' ' B' ' 1' ' ' HIS . 2.1 t70 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 109.258 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.604 HD11 ' HA ' ' A' ' 22' ' ' LEU . 27.2 pt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.643 HG13 ' N ' ' A' ' 15' ' ' THR . 2.9 t -122.94 153.05 27.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.346 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.868 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.32 149.45 36.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 108.269 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.902 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 21.3 m-70 -84.56 145.73 27.91 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.385 1.053 . . . . 0.0 109.703 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -111.89 115.04 28.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.373 1.046 . . . . 0.0 110.375 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.967 ' O ' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -103.29 -18.35 14.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.443 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.599 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -83.91 -49.82 8.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 1.105 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -103.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 0.0 110.349 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.856 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.96 -161.35 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.023 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.856 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.0 Cg_endo -75.07 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.516 1.798 . . . . 0.0 110.994 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.097 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.2 OUTLIER 165.99 102.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.2 p -152.71 139.23 18.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.923 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.902 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.96 102.38 7.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 109.348 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.588 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -130.33 126.72 61.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 0.0 109.257 -179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.643 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.3 m -47.95 142.25 5.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.175 . . . . 0.0 110.351 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.733 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -97.28 178.28 1.41 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 108.318 -179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.76 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.0 Cg_endo -75.15 -173.5 1.61 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.76 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.3 Cg_endo -75.07 113.65 3.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.503 1.791 . . . . 0.0 110.917 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.519 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 154.91 -57.27 0.4 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 111.038 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.65 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 44.0 mp0 -66.95 103.89 1.25 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.2 m120 -83.6 6.49 20.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.757 HD12 ' O ' ' A' ' 23' ' ' CYS . 0.8 OUTLIER -174.42 -171.74 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.868 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -102.99 -169.5 1.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.193 . . . . 0.0 108.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.537 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 18.2 p90 -168.59 167.5 11.47 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.595 1.184 . . . . 0.0 111.011 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.949 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -136.58 99.05 3.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.233 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.77 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.5 OUTLIER -82.39 156.31 24.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.475 ' CG ' ' O ' ' A' ' 39' ' ' VAL . 2.8 mtt -149.77 152.73 35.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 110.981 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.951 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -169.17 -100.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.655 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -175.47 118.75 0.17 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.536 1.147 . . . . 0.0 108.273 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.569 ' N ' ' CG2' ' A' ' 39' ' ' VAL . 46.2 t0 -47.2 175.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.06 -0.39 9.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.12 . . . . 0.0 109.376 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.447 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.6 m-85 -121.39 -10.91 8.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.58 1.175 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.607 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 3.4 t 38.27 61.79 1.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.581 1.176 . . . . 0.0 108.302 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -61.33 175.51 0.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.002 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.5 m -73.02 -3.36 25.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.965 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.801 ' HB2' ' CD2' ' B' ' 4' ' ' TYR . 2.0 mmp_? -77.07 6.68 6.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.49 -125.26 7.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.113 . . . . 0.0 111.063 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.951 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.5 OUTLIER -97.26 -168.93 1.77 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.481 0.754 . . . . 0.0 109.309 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.797 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -103.5 -163.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.139 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -152.93 76.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.686 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.1 mt-10 -91.42 68.56 5.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.949 HD23 ' HG2' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -66.41 -178.08 0.63 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.133 . . . . 0.0 109.371 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 158.83 -146.69 13.46 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.739 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 5.1 m -112.54 154.88 25.27 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -167.69 144.6 4.29 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.542 1.151 . . . . 0.0 109.345 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.595 ' O ' HG23 ' A' ' 47' ' ' THR . . . -52.33 -47.46 66.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 46' ' ' ALA . 25.1 p -160.1 162.61 34.08 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.0 OUTLIER -34.7 97.71 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 108.265 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.024 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.5 Cg_endo -74.99 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.573 1.828 . . . . 0.0 110.948 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.56 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -25.07 139.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.971 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.841 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -93.9 -115.02 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 109.347 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.841 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -156.08 -52.4 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.741 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.4 Cg_endo -75.01 -106.26 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.432 1.754 . . . . 0.0 110.993 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.887 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.5 p90 -83.35 -53.64 5.58 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.733 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -36.08 73.05 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.887 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -86.98 89.83 8.13 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.6 1.187 . . . . 0.0 110.294 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.024 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -97.4 157.96 3.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.531 1.145 . . . . 0.0 109.263 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 1.3 m -127.34 -145.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.521 1.138 . . . . 0.0 110.429 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 0.631 ' SG ' ' SG ' ' A' ' 48' ' ' CYS . 12.5 m -153.49 172.38 17.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 108.306 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.162 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 179.15 114.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 108.269 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.423 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 14.7 p -109.09 -35.19 6.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.08 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.785 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -48.47 165.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.374 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.97 102.66 3.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.13 . . . . 0.0 109.259 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 19.4 mttm 67.14 50.56 0.99 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.61 1.194 . . . . 0.0 109.306 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.162 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.6 p -99.89 27.23 5.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.151 . . . . 0.0 108.274 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.997 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.84 9.54 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.997 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -75.01 69.2 5.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.544 1.812 . . . . 0.0 110.984 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.139 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.8 p80 -37.42 157.72 0.08 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.581 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.655 ' O ' ' HG3' ' A' ' 70' ' ' LYS . 18.1 Cg_endo -75.06 104.66 1.94 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.41 1.742 . . . . 0.0 110.94 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 1.105 ' HD3' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -160.53 -44.17 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 109.274 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.521 ' N ' ' HE2' ' A' ' 70' ' ' LYS . 46.7 mt-30 -56.48 83.43 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.507 1.129 . . . . 0.0 110.314 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.684 ' HB3' ' HD3' ' A' ' 73' ' ' PRO . 1.8 ttt-85 -143.97 -61.47 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.684 ' HD3' ' HB3' ' A' ' 72' ' ' ARG . 18.3 Cg_endo -75.01 61.23 5.64 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.468 1.772 . . . . 0.0 110.958 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' B' ' 9' ' ' GLU . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.536 1.147 . . . . 0.0 110.944 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.618 ' H2 ' ' CB ' ' B' ' 14' ' ' ASP . 13.4 t-80 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.673 ' NH1' ' CE1' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -159.52 167.2 29.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.281 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.967 ' CE1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -116.89 49.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.413 1.07 . . . . 0.0 111.069 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.801 ' CD2' ' HB2' ' A' ' 36' ' ' ARG . 2.3 m-85 -58.53 -166.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' B' ' 5' ' ' GLU . 0.0 OUTLIER -105.92 40.1 1.65 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.467 1.104 . . . . 0.0 110.323 -179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 38.4 t -146.64 -10.83 0.46 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.44 1.088 . . . . 0.0 110.065 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.622 ' OG ' ' HB2' ' B' ' 12' ' ' TYR . 29.1 t -167.34 170.82 11.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 1.109 . . . . 0.0 110.035 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 1.097 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.6 tm? -129.44 -18.38 3.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.483 1.115 . . . . 0.0 109.331 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 11' ' ' TRP . 5.2 mm-40 -86.08 143.48 37.35 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.275 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.554 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.03 29.3 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.509 1.794 . . . . 0.0 111.015 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.607 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.6 t90 -126.8 -37.96 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 108.019 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.737 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 49.3 m-85 -94.54 -35.53 0.3 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.108 . . . . 0.0 110.928 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.737 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.7 Cg_endo -74.92 -40.38 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.458 1.767 . . . . 0.0 111.061 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.618 ' CB ' ' H2 ' ' B' ' 1' ' ' HIS . 2.2 t0 . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.431 1.082 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.62 HD11 ' HA ' ' A' ' 22' ' ' LEU . 27.5 pt . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.608 HG13 ' N ' ' A' ' 15' ' ' THR . 3.1 t -123.79 156.02 30.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.563 1.164 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.898 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 1.8 m -144.75 150.44 37.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 108.268 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.89 ' CE1' ' HB2' ' A' ' 13' ' ' ALA . 22.0 m-70 -84.96 146.95 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -114.51 115.15 26.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.392 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.884 ' O ' ' CZ ' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -101.22 -24.53 14.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 110.337 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.506 ' HB2' ' HB3' ' A' ' 41' ' ' GLU . . . -77.57 -51.2 11.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.279 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.3 -104.73 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.098 . . . . 0.0 110.472 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.85 ' CB ' ' CD ' ' A' ' 10' ' ' PRO . 0.8 OUTLIER -63.1 -161.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.978 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.85 ' CD ' ' CB ' ' A' ' 9' ' ' SER . 18.3 Cg_endo -74.95 -54.83 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.504 1.791 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.909 ' CD1' HD21 ' B' ' 8' ' ' LEU . 0.1 OUTLIER 165.79 100.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.917 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.41 ' O ' HG13 ' A' ' 14' ' ' VAL . 54.6 p -152.69 141.16 20.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.971 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.89 ' HB2' ' CE1' ' A' ' 4' ' ' HIS . . . -77.58 99.86 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.542 ' C ' HG13 ' A' ' 2' ' ' VAL . 0.9 OUTLIER -125.78 127.45 71.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.466 1.104 . . . . 0.0 109.284 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.608 ' N ' HG13 ' A' ' 2' ' ' VAL . 7.8 m -47.01 142.92 3.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 1.09 . . . . 0.0 110.454 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.743 ' HB2' ' SG ' ' A' ' 44' ' ' CYS . 0.0 OUTLIER -100.86 177.65 1.46 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 108.299 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.737 ' HB2' ' HD2' ' A' ' 18' ' ' PRO . 18.4 Cg_endo -75.0 -174.32 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.737 ' HD2' ' HB2' ' A' ' 17' ' ' PRO . 18.1 Cg_endo -75.11 117.26 4.82 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.527 1.803 . . . . 0.0 110.969 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.528 ' O ' ' ND2' ' A' ' 21' ' ' ASN . . . 151.28 -57.22 0.44 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.478 1.111 . . . . 0.0 110.992 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.665 ' HG2' ' C ' ' A' ' 44' ' ' CYS . 3.7 mp0 -66.12 104.45 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 110.326 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 19' ' ' GLY . 2.3 m120 -85.11 9.32 15.19 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.555 1.159 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 1.025 HD11 ' SG ' ' A' ' 59' ' ' CYS . 1.0 OUTLIER -176.48 -168.28 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.632 1.208 . . . . 0.0 109.252 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.898 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 2.1 m -106.38 -170.76 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 108.345 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.538 ' O ' ' HB3' ' A' ' 42' ' ' LEU . 17.3 p90 -166.35 168.06 15.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 111.003 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.86 ' HG2' HD23 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -137.48 100.39 4.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 110.283 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.777 ' CG ' HG22 ' A' ' 57' ' ' VAL . 0.6 OUTLIER -84.45 155.38 22.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.335 1.022 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.456 ' HB2' ' O ' ' A' ' 56' ' ' GLU . 2.6 mtt -149.54 150.24 31.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.088 . . . . 0.0 111.032 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.97 ' O ' ' HB3' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -167.26 -101.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 108.112 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.665 ' SG ' ' HD2' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -176.09 120.03 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 108.282 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.51 ' OD2' ' N ' ' A' ' 31' ' ' ALA . 45.1 t0 -48.99 175.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.51 ' N ' ' OD2' ' A' ' 30' ' ' ASP . . . -69.89 -3.03 14.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.474 ' O ' ' C ' ' A' ' 33' ' ' CYS . 5.7 m-85 -115.28 -14.14 11.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.157 . . . . 0.0 111.043 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.657 ' SG ' ' O ' ' A' ' 33' ' ' CYS . 1.7 t 35.59 61.38 0.69 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.384 1.052 . . . . 0.0 108.364 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 68.7 m -67.28 176.58 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 109.99 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.6 m -68.72 -5.4 20.25 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.541 1.151 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.771 ' HB2' ' CD1' ' B' ' 4' ' ' TYR . 5.3 mmm180 -72.6 2.7 5.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.255 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.33 -127.03 8.13 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.444 1.09 . . . . 0.0 111.017 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.97 ' HB3' ' O ' ' A' ' 28' ' ' TRP . 0.3 OUTLIER -97.34 -168.62 1.72 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 0.799 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.787 HG12 ' H ' ' A' ' 40' ' ' VAL . 1.9 t -105.7 -162.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 1.173 HG11 ' CB ' ' A' ' 68' ' ' HIS . 1.9 t -153.29 77.76 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.539 1.149 . . . . 0.0 109.353 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.686 ' HG3' ' CZ2' ' A' ' 28' ' ' TRP . 3.4 mt-10 -92.31 67.77 4.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.583 1.177 . . . . 0.0 110.272 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.962 HD11 ' CD2' ' A' ' 68' ' ' HIS . 0.3 OUTLIER -65.58 -175.37 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.263 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 4' ' ' HIS . . . 156.57 -148.3 18.0 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.559 1.162 . . . . 0.0 111.04 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . 0.743 ' SG ' ' HB2' ' A' ' 16' ' ' CYS . 8.4 m -110.14 155.75 21.52 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.477 ' N ' ' HG2' ' A' ' 20' ' ' GLU . . . -171.5 143.52 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.373 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.59 ' O ' ' CG2' ' A' ' 47' ' ' THR . . . -51.31 -46.73 62.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.247 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.59 ' CG2' ' O ' ' A' ' 46' ' ' ALA . 40.6 p -159.76 161.61 34.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.433 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.856 ' SG ' ' SG ' ' A' ' 59' ' ' CYS . 0.9 OUTLIER -37.68 99.28 0.18 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.592 1.183 . . . . 0.0 108.326 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 1.034 ' HG2' HG11 ' A' ' 57' ' ' VAL . 18.1 Cg_endo -75.08 0.89 8.39 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.409 1.742 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.546 ' C ' ' O ' ' A' ' 49' ' ' PRO . 0.1 OUTLIER -26.87 140.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.839 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 0.0 OUTLIER -95.25 -114.15 0.12 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.839 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -155.99 -52.87 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 109.316 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.723 ' HD2' ' H ' ' A' ' 52' ' ' LYS . 18.3 Cg_endo -75.0 -106.66 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.527 1.804 . . . . 0.0 111.042 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.909 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.6 p90 -82.79 -52.88 6.33 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.572 1.17 . . . . 0.0 111.052 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.702 ' CD ' ' HG3' ' A' ' 51' ' ' LYS . 17.6 mt-10 -37.39 72.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.269 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.909 ' N ' ' O ' ' A' ' 54' ' ' TYR . 0.1 OUTLIER -86.81 88.5 7.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.6 1.188 . . . . 0.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.034 HG11 ' HG2' ' A' ' 49' ' ' PRO . 2.5 t -98.15 158.42 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.443 1.089 . . . . 0.0 109.223 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.466 ' C ' ' SG ' ' A' ' 48' ' ' CYS . 1.3 m -131.76 -154.43 0.62 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 110.416 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . 1.025 ' SG ' HD11 ' A' ' 22' ' ' LEU . 1.2 m -141.43 176.64 8.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 108.27 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER 176.63 112.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.454 1.097 . . . . 0.0 108.289 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.489 ' HA ' ' CD1' ' A' ' 1' ' ' ILE . 8.7 p -109.0 -36.09 6.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 109.927 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.778 ' N ' ' SG ' ' A' ' 65' ' ' CYS . 0.0 OUTLIER -47.67 162.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 110.366 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -67.74 104.14 1.58 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.48 1.113 . . . . 0.0 109.218 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.504 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 17.8 mttm 64.1 51.24 2.26 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 109.252 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 1.156 ' SG ' ' SG ' ' A' ' 60' ' ' CYS . 1.7 p -98.45 26.95 5.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.565 1.166 . . . . 0.0 108.368 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.992 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 0.1 OUTLIER -108.84 11.16 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.886 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.992 ' CD ' ' N ' ' A' ' 66' ' ' ASN . 18.3 Cg_endo -74.93 70.53 5.22 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 1.173 ' CB ' HG11 ' A' ' 40' ' ' VAL . 2.4 p80 -37.68 156.41 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.551 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.695 ' C ' ' HD3' ' A' ' 70' ' ' LYS . 18.1 Cg_endo -75.06 103.13 1.68 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.569 1.826 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 1.086 ' CD ' ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -163.29 -39.78 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.61 HE21 ' HZ1' ' A' ' 70' ' ' LYS . 34.0 mt-30 -52.26 80.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.335 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.619 ' N ' ' O ' ' A' ' 70' ' ' LYS . 2.3 ttm-85 -165.49 132.19 2.18 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 110.341 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.59 ' HA ' ' CE2' ' B' ' 12' ' ' TYR . 18.2 Cg_endo -74.89 114.19 3.97 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.51 1.795 . . . . 0.0 111.068 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 110.98 -179.917 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' HIS . . . . . 0.647 ' H2 ' ' CB ' ' B' ' 14' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ARG . . . . . 0.659 ' NH1' ' CE2' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -158.99 173.69 16.1 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.323 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.884 ' CZ ' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -118.4 40.3 3.24 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 111.016 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' TYR . . . . . 0.771 ' CD1' ' HB2' ' A' ' 36' ' ' ARG . 2.2 m-85 -54.47 177.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.5 ' O ' ' HG3' ' B' ' 5' ' ' GLU . 2.3 pt-20 -91.53 34.48 0.97 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 110.324 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' SER . . . . . 0.488 ' OG ' ' CZ ' ' A' ' 36' ' ' ARG . 36.0 t -138.58 -6.84 1.5 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.644 1.215 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.629 ' N ' ' HB3' ' A' ' 70' ' ' LYS . 42.2 t -174.52 170.48 3.5 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.459 1.099 . . . . 0.0 109.93 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.909 HD21 ' CD1' ' A' ' 11' ' ' ILE . 1.4 tm? -126.96 -26.4 3.16 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' B' ' 11' ' ' TRP . 5.0 mm-40 -81.31 145.13 55.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' PRO . . . . . 0.607 ' HA ' ' HA ' ' B' ' 1' ' ' HIS . 18.1 Cg_endo -75.02 26.32 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.469 1.773 . . . . 0.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' TRP . . . . . 0.591 ' N ' ' HD2' ' B' ' 13' ' ' PRO . 1.8 t-105 -124.89 -37.72 2.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 108.026 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.734 ' N ' ' CD ' ' B' ' 13' ' ' PRO . 7.7 m-85 -94.56 -36.13 0.3 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' PRO . . . . . 0.734 ' CD ' ' N ' ' B' ' 12' ' ' TYR . 18.4 Cg_endo -75.0 -38.72 1.46 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.48 1.779 . . . . 0.0 111.045 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ASP . . . . . 0.647 ' CB ' ' H2 ' ' B' ' 1' ' ' HIS . 2.8 t0 . . . . . 0 C--N 1.326 -0.437 0 O-C-N 124.531 1.144 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 stop_ save_