data_2ajw_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 2ajw _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.24 0.543 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.473 ' HB2' ' HB2' ' A' ' 8' ' ' CYS . 6.2 m120 -89.72 123.61 66.01 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.813 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.29 -42.68 65.41 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.84 2.36 . . . . 0.0 112.022 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.1 t -65.23 -48.7 82.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.13 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.473 ' HB2' ' HB2' ' A' ' 5' ' ' ASN . 5.3 t -55.8 -42.79 76.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.951 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -56.58 -45.92 81.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.422 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.2 tp -79.04 -50.85 10.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.901 0.381 . . . . 0.0 111.343 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -57.84 -39.44 77.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.039 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -114.19 53.94 0.77 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.606 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.1 m -58.84 -26.53 64.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.711 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -63.24 -37.26 86.52 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.885 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.7 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -87.26 128.74 54.2 Favored Pre-proline 0 N--CA 1.451 -0.383 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.87 -40.89 65.65 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 123.292 2.662 . . . . 0.0 113.187 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.6 t -64.42 -53.74 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.048 0.451 . . . . 0.0 110.533 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.7 t -60.61 -41.93 95.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.488 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -61.96 -47.17 86.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.614 0.228 . . . . 0.0 111.614 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.53 -48.45 26.93 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -61.39 -46.17 91.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.321 0.581 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -102.25 46.93 0.91 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.91 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.7 m -59.42 -25.42 64.31 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.993 0.425 . . . . 0.0 110.798 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -64.48 -34.12 77.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.407 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.512 0.672 . . . . 0.0 109.823 179.365 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 121.274 0.559 . . . . 0.0 109.873 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -89.91 124.81 62.68 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.954 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.79 -43.65 55.31 Favored 'Trans proline' 0 CA--C 1.527 0.147 0 C-N-CA 122.765 2.31 . . . . 0.0 112.519 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 t -64.78 -48.34 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.551 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.8 t -59.23 -45.65 90.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.547 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -59.59 -44.21 93.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.302 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 tp -72.45 -55.06 7.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.783 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -61.62 -49.84 74.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.444 0.64 . . . . 0.0 111.665 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -91.5 60.03 3.98 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.755 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -56.14 -34.15 65.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.031 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -65.78 -43.57 88.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.018 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.144 0.497 . . . . 0.0 110.158 179.707 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 121.031 0.443 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -88.39 123.05 69.12 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.055 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.56 -40.74 82.47 Favored 'Trans proline' 0 CA--C 1.527 0.172 0 C-N-CA 122.981 2.454 . . . . 0.0 112.61 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 t -65.31 -51.79 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 CA-C-O 121.045 0.45 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.48 -42.2 98.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.705 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -64.1 -45.99 86.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.485 0.183 . . . . 0.0 110.894 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.1 -52.07 32.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.521 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -62.47 -48.33 80.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.391 0.615 . . . . 0.0 110.833 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -98.89 49.34 0.96 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.857 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -61.03 -23.89 65.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.138 0.494 . . . . 0.0 110.511 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -66.76 -33.04 74.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.33 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.328 0.585 . . . . 0.0 110.661 179.886 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 121.12 0.486 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -89.0 124.27 65.5 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.37 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.54 -42.22 70.03 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.965 2.443 . . . . 0.0 112.587 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.04 -51.77 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.937 0.399 . . . . 0.0 110.702 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.29 -41.97 94.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.614 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -63.12 -43.71 97.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 10' ' ' LEU . 1.7 tm? -71.49 -53.95 12.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.43 -50.73 72.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.416 0.627 . . . . 0.0 110.976 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -96.87 48.19 1.06 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.867 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -58.18 -35.17 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.681 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -62.62 -40.82 98.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.647 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.407 ' HA ' HD23 ' A' ' 15' ' ' LEU . 91.0 mt . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.302 0.573 . . . . 0.0 110.642 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 m . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.163 0.506 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -89.56 125.28 61.88 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.112 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.32 -43.35 56.7 Favored 'Trans proline' 0 CA--C 1.528 0.189 0 C-N-CA 122.843 2.362 . . . . 0.0 112.601 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.8 t -65.46 -50.2 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -58.93 -44.0 91.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.662 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -62.19 -45.37 93.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.2 tp -68.35 -52.03 37.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.459 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.82 -48.55 76.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.326 0.584 . . . . 0.0 111.112 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.713 ' HB3' HD13 ' A' ' 15' ' ' LEU . 80.0 m-70 -98.14 50.54 1.02 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.81 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -60.42 -27.19 67.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.914 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -67.15 -34.31 77.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.507 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.713 HD13 ' HB3' ' A' ' 12' ' ' HIS . 6.2 mp . . . . . 0 C--O 1.234 0.242 0 CA-C-O 121.563 0.696 . . . . 0.0 109.399 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -87.88 130.87 45.04 Favored Pre-proline 0 N--CA 1.454 -0.257 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.05 -41.61 70.48 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 123.02 2.48 . . . . 0.0 113.073 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 t -65.93 -50.33 70.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.085 0.469 . . . . 0.0 110.977 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.4 t -62.29 -44.84 95.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.487 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -61.79 -42.91 99.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 111.167 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.3 tp -72.53 -53.2 12.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.182 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -64.94 -49.48 70.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.078 0.466 . . . . 0.0 111.107 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.425 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 78.3 m-70 -91.6 44.01 1.16 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.32 -38.55 68.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.081 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -66.87 -31.64 72.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.239 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.524 ' N ' HD23 ' A' ' 15' ' ' LEU . 3.2 mm? . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 109.975 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 121.07 0.462 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -89.16 123.95 65.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.912 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.08 -42.62 67.19 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.87 2.38 . . . . 0.0 112.66 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.76 -52.14 53.58 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.525 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.1 t -60.04 -42.69 94.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.908 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -62.99 -45.98 89.86 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.214 -0.195 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.6 tp -69.14 -52.08 31.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.817 0.341 . . . . 0.0 111.318 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -61.03 -40.5 93.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.455 0.645 . . . . 0.0 110.815 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -109.36 47.91 0.9 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.732 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.3 m -59.56 -30.03 68.34 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.142 0.496 . . . . 0.0 110.31 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -64.29 -39.76 94.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.82 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.352 0.596 . . . . 0.0 110.328 179.509 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 121.057 0.456 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -88.47 125.36 63.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.117 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.22 -42.18 71.17 Favored 'Trans proline' 0 CA--C 1.527 0.145 0 C-N-CA 123.07 2.513 . . . . 0.0 112.721 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 t -65.73 -52.02 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 110.65 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.94 -41.99 97.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.624 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -63.5 -44.26 94.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.635 0.255 . . . . 0.0 111.051 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.7 tp -71.42 -52.5 18.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.597 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.9 -50.56 71.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.422 0.629 . . . . 0.0 110.861 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -95.72 47.2 1.1 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.695 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.83 -34.62 69.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.089 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -63.11 -34.4 77.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.703 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--N 1.331 -0.211 0 CA-C-O 121.257 0.551 . . . . 0.0 110.461 179.854 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.0 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -87.24 129.39 51.82 Favored Pre-proline 0 N--CA 1.453 -0.311 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.103 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.48 -41.91 64.64 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 123.073 2.515 . . . . 0.0 113.121 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.9 t -63.79 -52.46 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.973 0.416 . . . . 0.0 110.604 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.9 t -60.9 -42.65 98.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.162 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -62.95 -45.38 92.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 mp -73.93 -49.8 23.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -61.8 -51.13 69.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.419 0.628 . . . . 0.0 111.001 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -97.45 43.86 1.06 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.833 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -54.36 -38.74 66.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.589 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -64.29 -33.1 75.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.331 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 121.338 0.589 . . . . 0.0 110.636 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 121.082 0.468 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -88.52 129.14 50.27 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.16 -40.7 80.81 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.925 2.417 . . . . 0.0 112.872 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 t -65.52 -52.91 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.644 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.3 t -60.61 -42.78 97.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.216 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -63.31 -44.51 94.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.166 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -70.64 -53.5 15.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.836 0.35 . . . . 0.0 111.408 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.96 -50.62 72.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.463 0.649 . . . . 0.0 110.878 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -96.96 43.91 1.06 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.903 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.1 t -58.05 -33.97 69.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.587 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -65.59 -33.51 76.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.745 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mp . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 121.21 0.529 . . . . 0.0 109.97 179.554 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 121.079 0.466 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -88.52 125.99 61.56 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.529 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -56.11 -44.24 48.77 Favored 'Trans proline' 0 CA--C 1.527 0.125 0 C-N-CA 122.785 2.323 . . . . 0.0 112.561 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 t -63.89 -49.71 80.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-O 121.211 0.529 . . . . 0.0 110.677 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.95 -42.16 99.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.718 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -63.58 -47.26 82.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.344 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.49 -54.68 18.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.759 0.314 . . . . 0.0 111.466 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -61.74 -50.4 72.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -96.46 48.16 1.08 Allowed 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.571 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.5 m -62.35 -27.6 69.17 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -64.25 -40.58 96.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.566 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 121.184 0.516 . . . . 0.0 110.184 179.47 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 121.157 0.503 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -88.77 122.33 69.23 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.69 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.57 -40.79 77.8 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 123.003 2.469 . . . . 0.0 112.637 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.7 t -65.07 -52.62 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-O 120.969 0.414 . . . . 0.0 110.446 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 t -59.18 -42.35 90.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.954 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -60.68 -47.15 87.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.196 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.7 mt -72.39 -50.27 27.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.825 0.345 . . . . 0.0 111.394 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -59.31 -39.88 84.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.515 0.674 . . . . 0.0 110.808 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -111.64 47.47 1.03 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.687 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.6 m -57.78 -28.58 64.12 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.66 -36.66 84.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.482 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.26 0.552 . . . . 0.0 110.08 179.476 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.934 0.397 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -89.31 125.53 61.5 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.54 -42.72 65.07 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.996 2.464 . . . . 0.0 112.38 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.1 t -66.1 -52.9 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.382 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.8 t -58.03 -42.22 84.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.175 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -62.38 -46.81 86.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.45 0.166 . . . . 0.0 111.119 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.3 tp -71.77 -51.02 24.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.819 0.342 . . . . 0.0 111.262 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.42 -38.14 79.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.939 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -114.09 48.13 1.13 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.642 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.2 m -57.73 -32.64 67.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -62.7 -36.05 81.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.743 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 15' ' ' LEU . 3.1 mm? . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.352 0.596 . . . . 0.0 110.184 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -87.7 128.29 55.02 Favored Pre-proline 0 N--CA 1.454 -0.275 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.275 178.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -53.01 -41.1 73.97 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.985 2.457 . . . . 0.0 113.031 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 t -63.84 -52.97 50.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.975 0.417 . . . . 0.0 110.516 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.9 t -60.93 -40.66 94.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.033 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -60.76 -45.07 95.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.416 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.3 mt -76.62 -50.12 14.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.575 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -60.41 -43.97 96.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.339 0.59 . . . . 0.0 111.171 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -106.12 45.9 0.95 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.076 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 p -55.26 -32.63 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.962 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -58.95 -42.91 90.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.311 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 15' ' ' LEU . 3.1 mm? . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 121.075 0.464 . . . . 0.0 110.142 179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -87.62 128.35 54.94 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.23 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.73 -39.09 84.91 Favored 'Trans proline' 0 CA--C 1.527 0.146 0 C-N-CA 123.147 2.565 . . . . 0.0 112.722 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.1 t -64.71 -53.47 41.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.942 0.401 . . . . 0.0 110.504 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.7 t -60.06 -41.67 92.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.224 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -58.28 -47.24 84.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.686 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 10' ' ' LEU . 4.2 mm? -79.17 -49.11 13.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.62 -35.0 73.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.305 0.574 . . . . 0.0 111.254 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -119.42 46.83 1.82 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.654 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.2 m -56.15 -36.2 68.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -62.74 -36.82 84.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.927 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.172 0.51 . . . . 0.0 110.207 179.737 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 121.288 0.566 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -88.04 125.44 64.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.603 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.64 -38.17 90.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.003 2.469 . . . . 0.0 112.422 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.9 t -64.95 -53.54 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.374 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.9 t -61.22 -39.45 90.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.198 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -58.35 -45.61 87.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.285 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.413 ' N ' HD13 ' A' ' 10' ' ' LEU . 11.2 mp -80.72 -50.68 9.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.598 -179.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.1 -44.92 87.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.391 0.615 . . . . 0.0 111.066 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.433 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 89.4 m-70 -107.74 47.48 0.89 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.738 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 p -57.3 -33.98 68.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.455 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -68.21 -36.73 79.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.687 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.433 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 8.1 mp . . . . . 0 C--N 1.332 -0.192 0 CA-C-O 121.203 0.525 . . . . 0.0 110.111 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 121.033 0.444 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -87.36 131.63 43.59 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.745 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.68 -41.85 52.43 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 123.193 2.595 . . . . 0.0 113.416 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 t -65.88 -55.66 18.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 CA-C-O 121.068 0.461 . . . . 0.0 110.614 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.4 t -60.73 -38.05 83.82 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.383 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -61.25 -49.41 77.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.747 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 10' ' ' LEU . 11.1 mp -79.04 -50.03 11.72 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.76 -26.79 62.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.308 0.575 . . . . 0.0 111.43 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -132.94 45.01 2.79 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.935 -0.478 . . . . 0.0 111.241 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.3 m -60.55 -25.86 66.48 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.983 0.421 . . . . 0.0 110.909 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.4 ' ND2' ' HG ' ' A' ' 15' ' ' LEU . 16.1 p-10 -63.16 -32.99 74.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.528 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' HG ' ' ND2' ' A' ' 14' ' ' ASN . 91.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.495 0.664 . . . . 0.0 110.722 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 121.222 0.534 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -87.05 127.31 59.91 Favored Pre-proline 0 N--CA 1.451 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.428 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.13 -40.0 60.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 123.296 2.664 . . . . 0.0 113.282 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.0 t -64.49 -55.97 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-O 121.002 0.43 . . . . 0.0 110.424 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.6 t -60.63 -39.68 89.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.398 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -60.39 -47.53 85.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.565 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -79.72 -47.84 14.64 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -57.92 -44.09 86.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.389 0.614 . . . . 0.0 110.834 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -107.13 42.67 1.27 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.723 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 t -56.58 -30.41 63.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.801 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -60.15 -38.31 82.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.676 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.407 0.623 . . . . 0.0 110.099 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 120.881 0.372 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -89.01 126.59 58.65 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.456 ' O ' HD21 ' A' ' 10' ' ' LEU . 11.9 Cg_endo -56.28 -44.68 44.04 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.777 2.318 . . . . 0.0 112.526 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 t -63.89 -51.09 73.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 121.102 0.477 . . . . 0.0 110.428 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.14 -40.78 91.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.949 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -62.88 -45.41 92.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.456 HD21 ' O ' ' A' ' 6' ' ' PRO . 4.2 mm? -73.71 -49.37 26.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.643 0.259 . . . . 0.0 111.626 -179.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.04 -43.38 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.529 0.68 . . . . 0.0 110.677 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.452 ' HB3' HD12 ' A' ' 15' ' ' LEU . 64.4 m-70 -106.54 46.98 0.9 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.503 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -57.49 -36.29 71.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.086 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -63.33 -30.59 71.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.059 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 12' ' ' HIS . 92.2 mt . . . . . 0 C--N 1.331 -0.231 0 CA-C-O 121.056 0.455 . . . . 0.0 110.553 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.31 0 N-CA-C 112.919 -0.073 . . . . 0.0 112.919 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.567 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 40.1 t -52.12 -41.88 62.85 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.338 0.655 . . . . 0.0 112.017 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.542 ' SG ' ' HA3' ' A' ' 21' ' ' GLY . 72.2 m -56.19 -21.29 22.17 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -61.93 -36.81 82.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.24 0.543 . . . . 0.0 109.847 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.473 ' HB2' ' HB2' ' A' ' 8' ' ' CYS . 6.2 m120 -89.72 123.61 66.01 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.813 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.29 -42.68 65.41 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.84 2.36 . . . . 0.0 112.022 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.1 t -65.23 -48.7 82.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.13 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.567 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 5.3 t -55.8 -42.79 76.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.951 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -56.58 -45.92 81.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.422 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.2 tp -79.04 -50.85 10.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.901 0.381 . . . . 0.0 111.343 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -57.84 -39.44 77.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.039 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -114.19 53.94 0.77 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.606 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.1 m -58.84 -26.53 64.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.711 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -63.24 -37.26 86.52 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.885 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.8 mt -79.68 -51.64 8.97 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.5 m -81.13 40.31 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.74 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -172.41 33.15 0.13 Allowed Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.89 -46.99 0.18 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.208 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.77 23.14 3.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.361 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 58.02 24.91 11.65 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.023 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.542 ' HA3' ' SG ' ' A' ' 3' ' ' CYS . . . 75.02 -53.24 2.58 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 116.1 -0.5 . . . . 0.0 113.629 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.421 -179.811 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.449 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 36.2 t -64.79 -35.36 80.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.647 0.736 . . . . 0.0 109.398 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.417 ' HB3' ' HB2' ' A' ' 20' ' ' ALA . 84.7 m -59.44 -18.06 36.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.627 -1.17 . . . . 0.0 112.313 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.1 m -65.57 -23.63 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -87.26 128.74 54.2 Favored Pre-proline 0 N--CA 1.451 -0.383 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.87 -40.89 65.65 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 123.292 2.662 . . . . 0.0 113.187 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.6 t -64.42 -53.74 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.048 0.451 . . . . 0.0 110.533 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 24.7 t -60.61 -41.93 95.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.488 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -61.96 -47.17 86.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.614 0.228 . . . . 0.0 111.614 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -74.53 -48.45 26.93 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -61.39 -46.17 91.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.321 0.581 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -102.25 46.93 0.91 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.91 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.7 m -59.42 -25.42 64.31 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.993 0.425 . . . . 0.0 110.798 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -64.48 -34.12 77.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.407 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -93.56 -41.04 9.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.512 0.672 . . . . 0.0 109.823 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.6 m -83.25 42.18 0.8 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.422 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.11 135.54 15.68 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.398 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.86 -115.66 8.06 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.854 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.85 -33.04 70.0 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 122.539 0.336 . . . . 0.0 111.597 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' A' ' 3' ' ' CYS . . . 63.98 46.55 3.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.674 179.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.79 130.02 12.55 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.396 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.751 -179.729 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.449 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.642 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 53.8 t -63.58 -43.11 97.93 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.01 -0.595 . . . . 0.0 110.3 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.405 ' SG ' ' HA3' ' A' ' 21' ' ' GLY . 68.0 m -60.47 -25.16 65.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.881 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.4 m -62.5 -34.69 77.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.274 0.559 . . . . 0.0 109.873 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -89.91 124.81 62.68 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.954 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.79 -43.65 55.31 Favored 'Trans proline' 0 CA--C 1.527 0.147 0 C-N-CA 122.765 2.31 . . . . 0.0 112.519 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 t -64.78 -48.34 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.551 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.642 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.8 t -59.23 -45.65 90.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.547 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -59.59 -44.21 93.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.302 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 tp -72.45 -55.06 7.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.783 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -61.62 -49.84 74.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.444 0.64 . . . . 0.0 111.665 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -91.5 60.03 3.98 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.755 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -56.14 -34.15 65.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.031 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -65.78 -43.57 88.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.018 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.55 ' HA ' ' HB1' ' A' ' 19' ' ' ALA . 94.5 mt -69.15 -46.61 67.18 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.144 0.497 . . . . 0.0 110.158 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 m -93.45 48.45 1.31 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.13 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.45 -42.64 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.228 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.76 55.96 0.21 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.72 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.55 ' HB1' ' HA ' ' A' ' 15' ' ' LEU . . . -147.98 -78.48 0.15 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.874 0.337 . . . . 0.0 111.416 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -174.67 61.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.455 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.405 ' HA3' ' SG ' ' A' ' 3' ' ' CYS . . . -78.08 44.95 2.45 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.99 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.346 0 N-CA-C 112.248 -0.341 . . . . 0.0 112.248 179.666 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 N-CA-C 112.798 -0.121 . . . . 0.0 112.798 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.607 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 44.3 t -59.27 -44.74 92.42 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.037 0.446 . . . . 0.0 110.988 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.0 m -65.07 -31.93 73.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.146 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 m -65.83 -32.83 74.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.862 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -88.39 123.05 69.12 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.055 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.56 -40.74 82.47 Favored 'Trans proline' 0 CA--C 1.527 0.172 0 C-N-CA 122.981 2.454 . . . . 0.0 112.61 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 t -65.31 -51.79 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 CA-C-O 121.045 0.45 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.607 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.5 t -61.48 -42.2 98.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.705 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -64.1 -45.99 86.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.485 0.183 . . . . 0.0 110.894 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.1 -52.07 32.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.521 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -62.47 -48.33 80.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.391 0.615 . . . . 0.0 110.833 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -98.89 49.34 0.96 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.857 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -61.03 -23.89 65.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.138 0.494 . . . . 0.0 110.511 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -66.76 -33.04 74.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.33 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.5 mt -91.44 -49.28 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.328 0.585 . . . . 0.0 110.661 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.8 m -95.83 50.44 1.2 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.628 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.49 -41.44 93.39 Favored Glycine 0 N--CA 1.452 -0.276 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.82 -122.53 5.09 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.02 46.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.198 0.523 . . . . 0.0 110.143 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.75 33.23 4.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.828 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.65 121.69 3.53 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.563 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 121.398 -0.43 . . . . 0.0 112.629 -179.478 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.493 0 N-CA-C 113.692 0.237 . . . . 0.0 113.692 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.582 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 41.9 t -60.66 -47.8 84.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.804 0.335 . . . . 0.0 111.363 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.4 m -64.73 -28.75 69.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 m -68.29 -30.6 69.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.12 0.486 . . . . 0.0 110.316 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -89.0 124.27 65.5 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.37 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.54 -42.22 70.03 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.965 2.443 . . . . 0.0 112.587 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.04 -51.77 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.937 0.399 . . . . 0.0 110.702 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.582 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.3 t -60.29 -41.97 94.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.614 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -63.12 -43.71 97.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 10' ' ' LEU . 1.7 tm? -71.49 -53.95 12.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.43 -50.73 72.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.416 0.627 . . . . 0.0 110.976 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -96.87 48.19 1.06 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.867 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -58.18 -35.17 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.681 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -62.62 -40.82 98.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.647 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.407 ' HA ' HD23 ' A' ' 15' ' ' LEU . 91.0 mt -75.09 -46.41 34.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.302 0.573 . . . . 0.0 110.642 179.53 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.8 m -87.28 40.36 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.029 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.16 -40.8 87.88 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.81 34.32 0.49 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.901 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -79.2 -39.02 34.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.002 0.43 . . . . 0.0 110.635 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 59.61 32.14 21.37 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.053 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.83 -137.31 4.36 Favored Glycine 0 N--CA 1.448 -0.567 0 C-N-CA 120.263 -0.97 . . . . 0.0 112.57 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.345 0 C-N-CA 121.583 -0.342 . . . . 0.0 113.054 179.623 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.257 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.649 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 49.6 t -60.75 -39.32 88.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.654 0.74 . . . . 0.0 110.075 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.2 m -63.64 -29.8 70.99 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.894 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 m -64.6 -32.3 73.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 0.0 110.361 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -89.56 125.28 61.88 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.112 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.32 -43.35 56.7 Favored 'Trans proline' 0 CA--C 1.528 0.189 0 C-N-CA 122.843 2.362 . . . . 0.0 112.601 -179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.8 t -65.46 -50.2 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.649 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.4 t -58.93 -44.0 91.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.662 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -62.19 -45.37 93.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.2 tp -68.35 -52.03 37.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.459 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.82 -48.55 76.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.326 0.584 . . . . 0.0 111.112 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.713 ' HB3' HD13 ' A' ' 15' ' ' LEU . 80.0 m-70 -98.14 50.54 1.02 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.81 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -60.42 -27.19 67.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.914 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -67.15 -34.31 77.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.507 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.713 HD13 ' HB3' ' A' ' 12' ' ' HIS . 6.2 mp -79.68 -49.28 12.34 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.563 0.696 . . . . 0.0 109.399 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.9 m -90.12 45.23 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.557 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.43 40.19 0.65 Allowed Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.42 -111.44 0.3 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.25 51.09 1.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.002 0.43 . . . . 0.0 110.663 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.36 47.65 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.769 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.24 148.11 10.89 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.188 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.718 179.782 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.327 0 CA-C-O 121.159 0.311 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 41.0 t -60.9 -34.31 74.47 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.484 0.659 . . . . 0.0 109.941 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.664 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 68.8 m -58.1 -18.71 26.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.499 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.6 m -64.27 -21.24 66.52 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -87.88 130.87 45.04 Favored Pre-proline 0 N--CA 1.454 -0.257 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.05 -41.61 70.48 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 123.02 2.48 . . . . 0.0 113.073 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 t -65.93 -50.33 70.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.085 0.469 . . . . 0.0 110.977 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.4 t -62.29 -44.84 95.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.487 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.525 ' HA ' ' SG ' ' A' ' 16' ' ' CYS . 11.6 t-80 -61.79 -42.91 99.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 111.167 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.3 tp -72.53 -53.2 12.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.182 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -64.94 -49.48 70.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.078 0.466 . . . . 0.0 111.107 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.425 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 78.3 m-70 -91.6 44.01 1.16 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.32 -38.55 68.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.081 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -66.87 -31.64 72.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.239 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.524 ' N ' HD23 ' A' ' 15' ' ' LEU . 3.2 mm? -85.04 -31.93 23.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 109.975 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.525 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 90.6 m -87.12 46.38 1.37 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.954 -179.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.96 57.16 2.69 Favored Glycine 0 CA--C 1.52 0.368 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.903 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.45 -152.69 9.59 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.27 -77.85 0.41 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.076 0.465 . . . . 0.0 110.737 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.664 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . -81.35 -18.85 44.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.197 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.54 ' HA3' ' SG ' ' A' ' 3' ' ' CYS . . . 57.53 -133.55 52.65 Favored Glycine 0 C--N 1.319 -0.412 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.584 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.576 179.748 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.555 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 53.0 t -56.26 -45.7 79.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.166 0.507 . . . . 0.0 111.015 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.0 m -61.63 -31.23 71.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.765 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -66.34 -29.92 70.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.07 0.462 . . . . 0.0 110.394 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -89.16 123.95 65.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.912 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.08 -42.62 67.19 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.87 2.38 . . . . 0.0 112.66 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.76 -52.14 53.58 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.525 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.555 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 5.1 t -60.04 -42.69 94.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.908 -179.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -62.99 -45.98 89.86 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.214 -0.195 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.6 tp -69.14 -52.08 31.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.817 0.341 . . . . 0.0 111.318 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -61.03 -40.5 93.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.455 0.645 . . . . 0.0 110.815 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -109.36 47.91 0.9 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.732 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.3 m -59.56 -30.03 68.34 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.142 0.496 . . . . 0.0 110.31 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -64.29 -39.76 94.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.82 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.5 mt -80.42 -47.03 14.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.352 0.596 . . . . 0.0 110.328 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.22 41.29 0.92 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.218 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.38 -46.79 67.51 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.08 36.57 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.463 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -167.24 45.55 0.05 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.821 0.31 . . . . 0.0 111.195 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -160.67 42.44 0.18 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.017 0.437 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.55 45.46 1.84 Allowed Glycine 0 CA--C 1.521 0.459 0 CA-C-N 116.016 -0.538 . . . . 0.0 113.339 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.437 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.354 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.104 0 N-CA-C 113.236 0.054 . . . . 0.0 113.236 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.627 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 51.9 t -58.1 -48.39 80.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.168 0.509 . . . . 0.0 110.744 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.593 ' SG ' ' HA3' ' A' ' 21' ' ' GLY . 40.7 m -62.45 -28.99 70.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.807 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 m -67.71 -30.26 69.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.057 0.456 . . . . 0.0 110.427 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -88.47 125.36 63.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.117 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.22 -42.18 71.17 Favored 'Trans proline' 0 CA--C 1.527 0.145 0 C-N-CA 123.07 2.513 . . . . 0.0 112.721 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 t -65.73 -52.02 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 110.65 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.627 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 3.9 t -60.94 -41.99 97.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.624 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -63.5 -44.26 94.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.635 0.255 . . . . 0.0 111.051 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.7 tp -71.42 -52.5 18.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.597 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.9 -50.56 71.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.422 0.629 . . . . 0.0 110.861 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 -95.72 47.2 1.1 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.695 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.83 -34.62 69.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.089 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -63.11 -34.4 77.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.703 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -84.77 -43.34 14.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.257 0.551 . . . . 0.0 110.461 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.0 m -97.12 50.55 1.09 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.462 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.31 48.82 1.85 Allowed Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.29 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.7 -134.41 3.27 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.14 46.32 0.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.177 0.513 . . . . 0.0 110.629 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.42 48.1 1.27 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.169 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.593 ' HA3' ' SG ' ' A' ' 3' ' ' CYS . . . -96.46 -126.59 5.22 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.739 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.692 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.282 -179.637 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.368 0 N-CA-C 113.939 0.335 . . . . 0.0 113.939 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.2 t -61.6 -35.14 76.99 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.495 0.664 . . . . 0.0 109.969 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.806 ' SG ' ' HA3' ' A' ' 21' ' ' GLY . 86.2 m -61.19 -12.94 14.64 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.68 -1.146 . . . . 0.0 112.804 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.0 m -66.87 -22.87 65.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -87.24 129.39 51.82 Favored Pre-proline 0 N--CA 1.453 -0.311 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.103 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.48 -41.91 64.64 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 123.073 2.515 . . . . 0.0 113.121 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.9 t -63.79 -52.46 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.973 0.416 . . . . 0.0 110.604 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.9 t -60.9 -42.65 98.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.162 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.66 ' HA ' ' SG ' ' A' ' 16' ' ' CYS . 11.3 t-80 -62.95 -45.38 92.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 mp -73.93 -49.8 23.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -61.8 -51.13 69.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.419 0.628 . . . . 0.0 111.001 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -97.45 43.86 1.06 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.833 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -54.36 -38.74 66.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.589 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -64.29 -33.1 75.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.331 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -87.21 -29.09 21.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.338 0.589 . . . . 0.0 110.636 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.66 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 61.9 m -80.41 41.31 0.53 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.742 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.3 -149.63 22.58 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.38 -130.72 49.06 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.341 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.63 -48.26 11.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.03 0.443 . . . . 0.0 111.049 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -167.88 41.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.935 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.806 ' HA3' ' SG ' ' A' ' 3' ' ' CYS . . . 66.9 -129.75 30.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.844 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.342 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.707 -179.085 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.275 0 N-CA-C 113.208 0.043 . . . . 0.0 113.208 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.455 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 9.0 t -59.16 -39.82 83.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.137 0.494 . . . . 0.0 110.53 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.405 ' SG ' ' HA2' ' A' ' 21' ' ' GLY . 83.6 m -58.26 -22.98 54.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.501 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 m -68.12 -19.41 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.082 0.468 . . . . 0.0 110.334 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -88.52 129.14 50.27 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.16 -40.7 80.81 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.925 2.417 . . . . 0.0 112.872 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 t -65.52 -52.91 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.644 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.455 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 47.3 t -60.61 -42.78 97.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.216 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -63.31 -44.51 94.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.166 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -70.64 -53.5 15.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.836 0.35 . . . . 0.0 111.408 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.96 -50.62 72.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.463 0.649 . . . . 0.0 110.878 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -96.96 43.91 1.06 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.903 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.1 t -58.05 -33.97 69.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.587 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -65.59 -33.51 76.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.745 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 mp -81.44 -46.72 14.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.21 0.529 . . . . 0.0 109.97 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.1 m -85.71 36.37 0.65 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.54 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.54 42.71 2.54 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.286 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.62 -138.98 5.34 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.385 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.75 29.46 2.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.381 0.61 . . . . 0.0 110.579 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.62 31.76 1.16 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.917 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.405 ' HA2' ' SG ' ' A' ' 3' ' ' CYS . . . -69.36 69.49 0.51 Allowed Glycine 0 CA--C 1.519 0.327 0 CA-C-N 114.899 -1.046 . . . . 0.0 113.376 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.476 0 N-CA-C 113.644 0.218 . . . . 0.0 113.644 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.623 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 43.7 t -59.44 -48.94 79.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.684 0.278 . . . . 0.0 111.484 -179.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.5 m -63.4 -29.14 70.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.607 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.4 m -69.66 -29.97 67.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.079 0.466 . . . . 0.0 110.592 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -88.52 125.99 61.56 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.529 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -56.11 -44.24 48.77 Favored 'Trans proline' 0 CA--C 1.527 0.125 0 C-N-CA 122.785 2.323 . . . . 0.0 112.561 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 t -63.89 -49.71 80.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-O 121.211 0.529 . . . . 0.0 110.677 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.623 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 2.8 t -62.95 -42.16 99.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.718 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -63.58 -47.26 82.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.344 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.49 -54.68 18.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.759 0.314 . . . . 0.0 111.466 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -61.74 -50.4 72.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -96.46 48.16 1.08 Allowed 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.571 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.5 m -62.35 -27.6 69.17 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -64.25 -40.58 96.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.566 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt -80.65 -45.64 16.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.184 0.516 . . . . 0.0 110.184 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.94 39.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.039 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.54 -38.93 86.99 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.26 33.02 0.46 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.857 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.68 -37.55 41.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.036 0.446 . . . . 0.0 110.579 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 59.72 30.71 20.31 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.065 -0.97 . . . . 0.0 112.191 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 167.23 -133.94 3.09 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.265 -0.969 . . . . 0.0 112.635 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.235 0 C-N-CA 121.477 -0.392 . . . . 0.0 113.092 179.773 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.432 0 N-CA-C 113.288 0.075 . . . . 0.0 113.288 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.634 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 48.8 t -54.85 -47.74 73.79 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 122.755 0.422 . . . . 0.0 111.48 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.689 ' SG ' ' HA2' ' A' ' 21' ' ' GLY . 83.5 m -62.6 -26.51 68.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.167 -179.178 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 m -66.24 -33.5 75.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.157 0.503 . . . . 0.0 110.084 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -88.77 122.33 69.23 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.69 179.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.57 -40.79 77.8 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 123.003 2.469 . . . . 0.0 112.637 -179.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.7 t -65.07 -52.62 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-O 120.969 0.414 . . . . 0.0 110.446 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.634 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.7 t -59.18 -42.35 90.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.954 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -60.68 -47.15 87.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.196 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.7 mt -72.39 -50.27 27.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.825 0.345 . . . . 0.0 111.394 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -59.31 -39.88 84.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.515 0.674 . . . . 0.0 110.808 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -111.64 47.47 1.03 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.687 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.6 m -57.78 -28.58 64.12 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.66 -36.66 84.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.482 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.4 mt -84.66 -46.29 11.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.26 0.552 . . . . 0.0 110.08 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 m -82.5 41.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.024 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.43 -46.97 23.88 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.588 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.92 135.99 2.31 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.315 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 59.1 40.43 21.96 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.091 0.472 . . . . 0.0 111.74 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.71 55.92 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.37 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.689 ' HA2' ' SG ' ' A' ' 3' ' ' CYS . . . -59.17 -64.19 4.49 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.722 -0.672 . . . . 0.0 113.001 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.517 0 N-CA-C 114.2 0.44 . . . . 0.0 114.2 179.306 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' H1 ' ' C ' ' A' ' 21' ' ' GLY . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.167 -0.373 . . . . 0.0 112.167 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.516 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 25.6 t -49.4 -43.29 44.27 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.386 0.613 . . . . 0.0 111.656 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.2 m -57.79 -26.51 62.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.926 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.8 t -65.81 -29.96 70.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.934 0.397 . . . . 0.0 110.337 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -89.31 125.53 61.5 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.54 -42.72 65.07 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.996 2.464 . . . . 0.0 112.38 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.1 t -66.1 -52.9 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.382 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.516 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 5.8 t -58.03 -42.22 84.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.175 -179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -62.38 -46.81 86.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.45 0.166 . . . . 0.0 111.119 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.3 tp -71.77 -51.02 24.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.819 0.342 . . . . 0.0 111.262 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.42 -38.14 79.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.939 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -114.09 48.13 1.13 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.642 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.2 m -57.73 -32.64 67.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -62.7 -36.05 81.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.743 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 15' ' ' LEU . 3.1 mm? -86.13 -38.01 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.352 0.596 . . . . 0.0 110.184 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.406 ' C ' ' H ' ' A' ' 18' ' ' GLY . 1.7 m -96.49 51.16 1.17 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.176 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.93 47.51 1.9 Allowed Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' H ' ' C ' ' A' ' 16' ' ' CYS . . . 167.52 -128.25 1.7 Allowed Glycine 0 N--CA 1.442 -0.927 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.2 45.51 0.81 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.874 0.369 . . . . 0.0 111.161 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.61 37.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.095 0.474 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.405 ' C ' ' H1 ' ' A' ' 1' ' ' GLY . . . -83.64 46.56 3.67 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.193 -0.527 . . . . 0.0 113.127 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.275 0 N-CA-C 113.502 0.161 . . . . 0.0 113.502 179.6 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.275 0 N-CA-C 113.485 0.154 . . . . 0.0 113.485 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.6 t -69.83 -34.93 74.31 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.303 0.573 . . . . 0.0 110.097 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.4 m -60.52 -14.6 20.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.981 -1.008 . . . . 0.0 112.397 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -64.09 -25.32 68.05 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -87.7 128.29 55.02 Favored Pre-proline 0 N--CA 1.454 -0.275 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.275 178.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -53.01 -41.1 73.97 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.985 2.457 . . . . 0.0 113.031 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 t -63.84 -52.97 50.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.975 0.417 . . . . 0.0 110.516 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.9 t -60.93 -40.66 94.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.033 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.628 ' HA ' ' SG ' ' A' ' 16' ' ' CYS . 18.6 t-80 -60.76 -45.07 95.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.416 -179.667 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.3 mt -76.62 -50.12 14.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.575 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -60.41 -43.97 96.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.339 0.59 . . . . 0.0 111.171 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -106.12 45.9 0.95 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.076 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 p -55.26 -32.63 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.962 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -58.95 -42.91 90.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.311 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 15' ' ' LEU . 3.1 mm? -80.22 -40.31 27.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.075 0.464 . . . . 0.0 110.142 179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.628 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 80.3 m -79.48 41.5 0.47 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.328 -179.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.56 -45.31 0.17 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.351 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.14 -39.52 31.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.01 -0.614 . . . . 0.0 113.398 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' HB1' ' H ' ' A' ' 20' ' ' ALA . . . -99.16 -83.03 0.43 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 117.16 0.48 . . . . 0.0 111.249 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.42 ' H ' ' HB1' ' A' ' 19' ' ' ALA . . . 176.04 43.92 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.825 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.73 139.86 29.41 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.247 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.037 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.324 0 N-CA-C 111.992 -0.443 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.8 t -75.0 -33.24 61.81 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.488 0.661 . . . . 0.0 109.296 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.2 m -58.47 -18.09 26.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.241 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m -62.96 -25.13 68.22 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -87.62 128.35 54.94 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.23 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.73 -39.09 84.91 Favored 'Trans proline' 0 CA--C 1.527 0.146 0 C-N-CA 123.147 2.565 . . . . 0.0 112.722 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.1 t -64.71 -53.47 41.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.942 0.401 . . . . 0.0 110.504 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.7 t -60.06 -41.67 92.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.224 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -58.28 -47.24 84.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.686 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 10' ' ' LEU . 4.2 mm? -79.17 -49.11 13.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.62 -35.0 73.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.305 0.574 . . . . 0.0 111.254 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -119.42 46.83 1.82 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.654 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.2 m -56.15 -36.2 68.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -62.74 -36.82 84.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.927 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -79.31 -37.55 37.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.172 0.51 . . . . 0.0 110.207 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.2 m -82.33 40.13 0.63 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.791 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.39 44.32 3.27 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.201 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.92 -111.4 3.26 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.152 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 58.61 24.69 12.34 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 122.977 0.511 . . . . 0.0 111.97 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 58.21 36.29 25.64 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.76 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.49 139.75 6.74 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.898 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.587 0 C-N-CA 119.89 -1.147 . . . . 0.0 113.201 -179.412 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.341 0 N-CA-C 113.656 0.222 . . . . 0.0 113.656 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.432 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 6.0 t -71.01 -34.75 71.63 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.15 0.5 . . . . 0.0 109.976 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.2 m -58.87 -23.56 61.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.13 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.6 m -62.77 -25.51 68.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.288 0.566 . . . . 0.0 110.132 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -88.04 125.44 64.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.603 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.64 -38.17 90.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.003 2.469 . . . . 0.0 112.422 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.9 t -64.95 -53.54 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.374 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 35.9 t -61.22 -39.45 90.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.198 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -58.35 -45.61 87.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.285 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' N ' HD13 ' A' ' 10' ' ' LEU . 11.2 mp -80.72 -50.68 9.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.598 -179.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.1 -44.92 87.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.391 0.615 . . . . 0.0 111.066 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.433 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 89.4 m-70 -107.74 47.48 0.89 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.738 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 p -57.3 -33.98 68.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.455 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -68.21 -36.73 79.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.687 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.433 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 8.1 mp -74.1 -45.71 47.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.203 0.525 . . . . 0.0 110.111 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.7 m -88.23 34.19 0.74 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.079 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -96.4 132.35 11.0 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.983 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.1 29.19 74.73 Favored Glycine 0 C--O 1.228 -0.26 0 C-N-CA 121.133 -0.556 . . . . 0.0 113.074 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.21 44.79 12.29 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.165 0.507 . . . . 0.0 111.441 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.28 25.37 1.4 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.349 0.595 . . . . 0.0 110.497 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.91 -145.0 6.5 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.621 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.872 179.401 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.306 0 N-CA-C 113.768 0.267 . . . . 0.0 113.768 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.54 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 16.9 t -62.09 -43.24 99.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.139 0.495 . . . . 0.0 110.03 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.408 ' HB3' ' HB3' ' A' ' 16' ' ' CYS . 1.8 m -57.75 -22.11 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.399 -179.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.5 m -71.5 -17.91 62.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.033 0.444 . . . . 0.0 110.528 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -87.36 131.63 43.59 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.745 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.68 -41.85 52.43 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 123.193 2.595 . . . . 0.0 113.416 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 t -65.88 -55.66 18.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 CA-C-O 121.068 0.461 . . . . 0.0 110.614 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.54 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 21.4 t -60.73 -38.05 83.82 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.383 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.488 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 8.2 t-160 -61.25 -49.41 77.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.747 -179.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 10' ' ' LEU . 11.1 mp -79.04 -50.03 11.72 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.76 -26.79 62.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.308 0.575 . . . . 0.0 111.43 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -132.94 45.01 2.79 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.935 -0.478 . . . . 0.0 111.241 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.3 m -60.55 -25.86 66.48 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.983 0.421 . . . . 0.0 110.909 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.4 ' ND2' ' HG ' ' A' ' 15' ' ' LEU . 16.1 p-10 -63.16 -32.99 74.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.528 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' HG ' ' ND2' ' A' ' 14' ' ' ASN . 91.5 mt -108.33 -43.76 4.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.495 0.664 . . . . 0.0 110.722 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.488 ' O ' ' HD2' ' A' ' 9' ' ' HIS . 1.6 m -93.86 48.94 1.3 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.248 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.46 -50.64 64.8 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.316 -0.945 . . . . 0.0 111.405 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.24 140.91 26.19 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.659 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.23 84.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.086 0.469 . . . . 0.0 111.577 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.56 32.73 3.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.451 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.33 -45.24 96.84 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 115.512 -0.767 . . . . 0.0 113.259 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.197 -1.001 . . . . 0.0 113.065 -179.665 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 112.791 -0.123 . . . . 0.0 112.791 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 8.8 t -58.47 -38.82 78.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.922 0.392 . . . . 0.0 111.539 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 m -59.46 -18.31 38.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -179.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -67.48 -24.62 65.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.222 0.534 . . . . 0.0 109.983 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -87.05 127.31 59.91 Favored Pre-proline 0 N--CA 1.451 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.428 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.13 -40.0 60.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 123.296 2.664 . . . . 0.0 113.282 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.0 t -64.49 -55.97 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-O 121.002 0.43 . . . . 0.0 110.424 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.422 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 48.6 t -60.63 -39.68 89.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.398 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.716 ' HD2' ' HB3' ' A' ' 16' ' ' CYS . 9.4 t-160 -60.39 -47.53 85.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.565 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -79.72 -47.84 14.64 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -57.92 -44.09 86.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.389 0.614 . . . . 0.0 110.834 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -107.13 42.67 1.27 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.723 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 t -56.58 -30.41 63.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.801 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -60.15 -38.31 82.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.676 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.37 -46.38 8.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.407 0.623 . . . . 0.0 110.099 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.716 ' HB3' ' HD2' ' A' ' 9' ' ' HIS . 68.3 m -81.88 37.48 0.48 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.323 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.98 -55.21 8.24 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.488 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.09 37.99 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.198 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -163.94 43.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.093 0.473 . . . . 0.0 110.498 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -160.39 53.07 0.32 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.514 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.39 50.83 2.1 Favored Glycine 0 C--O 1.226 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 113.102 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.417 0 C-N-CA 121.188 -0.53 . . . . 0.0 112.428 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.256 0 CA-C-O 120.566 -0.019 . . . . 0.0 113.076 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 46.2 t -52.65 -45.13 66.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.341 0.591 . . . . 0.0 111.194 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.416 ' SG ' ' HA2' ' A' ' 21' ' ' GLY . 16.2 m -58.98 -27.93 65.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.365 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.5 t -70.05 -28.97 65.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.788 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -89.01 126.59 58.65 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.456 ' O ' HD21 ' A' ' 10' ' ' LEU . 11.9 Cg_endo -56.28 -44.68 44.04 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.777 2.318 . . . . 0.0 112.526 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 t -63.89 -51.09 73.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 121.102 0.477 . . . . 0.0 110.428 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.563 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 3.9 t -60.14 -40.78 91.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.949 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -62.88 -45.41 92.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.456 HD21 ' O ' ' A' ' 6' ' ' PRO . 4.2 mm? -73.71 -49.37 26.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.643 0.259 . . . . 0.0 111.626 -179.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.04 -43.38 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.529 0.68 . . . . 0.0 110.677 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.452 ' HB3' HD12 ' A' ' 15' ' ' LEU . 64.4 m-70 -106.54 46.98 0.9 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.503 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -57.49 -36.29 71.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.086 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -63.33 -30.59 71.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.059 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 12' ' ' HIS . 92.2 mt -83.8 -52.95 5.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.056 0.455 . . . . 0.0 110.553 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.7 m -89.89 44.05 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.547 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.66 -49.02 39.27 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.883 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.57 136.74 2.76 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.923 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 58.94 41.31 21.34 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.152 0.501 . . . . 0.0 111.431 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.11 49.71 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.476 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.416 ' HA2' ' SG ' ' A' ' 3' ' ' CYS . . . -70.84 124.99 12.38 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.357 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.518 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.25 -179.674 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.24 0.543 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.507 ' HB2' ' HB2' ' A' ' 8' ' ' CYS . 6.2 m120 -89.72 123.61 66.01 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.813 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.29 -42.68 65.41 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.84 2.36 . . . . 0.0 112.022 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.1 t -65.23 -48.7 82.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.13 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.507 ' HB2' ' HB2' ' A' ' 5' ' ' ASN . 5.3 t -55.8 -42.79 76.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.951 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -56.58 -45.92 81.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.422 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.2 tp -79.04 -50.85 10.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.901 0.381 . . . . 0.0 111.343 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -57.84 -39.44 77.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.039 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -114.19 53.94 0.77 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.606 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.1 m -58.84 -26.53 64.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.711 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -63.24 -37.26 86.52 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.885 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.7 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -87.26 128.74 54.2 Favored Pre-proline 0 N--CA 1.451 -0.383 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.87 -40.89 65.65 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 123.292 2.662 . . . . 0.0 113.187 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.6 t -64.42 -53.74 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.048 0.451 . . . . 0.0 110.533 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.7 t -60.61 -41.93 95.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.488 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -61.96 -47.17 86.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.614 0.228 . . . . 0.0 111.614 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 10' ' ' LEU . 4.3 mm? -74.53 -48.45 26.93 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -61.39 -46.17 91.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.321 0.581 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 44.6 m80 -102.25 46.93 0.91 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.91 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.7 m -59.42 -25.42 64.31 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.993 0.425 . . . . 0.0 110.798 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -64.48 -34.12 77.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.407 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.512 0.672 . . . . 0.0 109.823 179.365 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 121.274 0.559 . . . . 0.0 109.873 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -89.91 124.81 62.68 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.954 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.79 -43.65 55.31 Favored 'Trans proline' 0 CA--C 1.527 0.147 0 C-N-CA 122.765 2.31 . . . . 0.0 112.519 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 t -64.78 -48.34 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.551 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.8 t -59.23 -45.65 90.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.547 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -59.59 -44.21 93.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.302 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 tp -72.45 -55.06 7.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.783 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -61.62 -49.84 74.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.444 0.64 . . . . 0.0 111.665 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 59.4 m80 -91.5 60.03 3.98 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.755 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -56.14 -34.15 65.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.031 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -65.78 -43.57 88.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.018 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.144 0.497 . . . . 0.0 110.158 179.707 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 121.031 0.443 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -88.39 123.05 69.12 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.055 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.56 -40.74 82.47 Favored 'Trans proline' 0 CA--C 1.527 0.172 0 C-N-CA 122.981 2.454 . . . . 0.0 112.61 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 t -65.31 -51.79 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 CA-C-O 121.045 0.45 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.48 -42.2 98.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.705 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -64.1 -45.99 86.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.485 0.183 . . . . 0.0 110.894 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.1 -52.07 32.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.521 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -62.47 -48.33 80.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.391 0.615 . . . . 0.0 110.833 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 48.0 m80 -98.89 49.34 0.96 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.857 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -61.03 -23.89 65.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.138 0.494 . . . . 0.0 110.511 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -66.76 -33.04 74.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.33 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.328 0.585 . . . . 0.0 110.661 179.886 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 121.12 0.486 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -89.0 124.27 65.5 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.37 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.54 -42.22 70.03 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.965 2.443 . . . . 0.0 112.587 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.04 -51.77 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.937 0.399 . . . . 0.0 110.702 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.29 -41.97 94.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.614 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -63.12 -43.71 97.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -71.49 -53.95 12.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.429 ' OE1' ' CE1' ' A' ' 12' ' ' HIS . 29.3 tt0 -60.43 -50.73 72.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.416 0.627 . . . . 0.0 110.976 -179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.429 ' CE1' ' OE1' ' A' ' 11' ' ' GLU . 34.9 m80 -96.87 48.19 1.06 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.867 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -58.18 -35.17 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.681 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -62.62 -40.82 98.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.647 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.302 0.573 . . . . 0.0 110.642 179.53 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 m . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.163 0.506 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 58.6 m-20 -89.56 125.28 61.88 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.112 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 5' ' ' ASN . 11.9 Cg_endo -56.32 -43.35 56.7 Favored 'Trans proline' 0 CA--C 1.528 0.189 0 C-N-CA 122.843 2.362 . . . . 0.0 112.601 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.8 t -65.46 -50.2 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -58.93 -44.0 91.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.662 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -62.19 -45.37 93.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.2 tp -68.35 -52.03 37.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.459 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' OE1' ' CE1' ' A' ' 12' ' ' HIS . 27.9 tt0 -63.82 -48.55 76.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.326 0.584 . . . . 0.0 111.112 -179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.69 ' HB3' HD13 ' A' ' 15' ' ' LEU . 45.3 m80 -98.14 50.54 1.02 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.81 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -60.42 -27.19 67.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.914 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -67.15 -34.31 77.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.507 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.69 HD13 ' HB3' ' A' ' 12' ' ' HIS . 6.2 mp . . . . . 0 C--O 1.234 0.242 0 CA-C-O 121.563 0.696 . . . . 0.0 109.399 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -87.88 130.87 45.04 Favored Pre-proline 0 N--CA 1.454 -0.257 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.05 -41.61 70.48 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 123.02 2.48 . . . . 0.0 113.073 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 t -65.93 -50.33 70.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.085 0.469 . . . . 0.0 110.977 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.4 t -62.29 -44.84 95.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.487 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -61.79 -42.91 99.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 111.167 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.3 tp -72.53 -53.2 12.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.182 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' OE1' ' CE1' ' A' ' 12' ' ' HIS . 2.1 tm-20 -64.94 -49.48 70.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.078 0.466 . . . . 0.0 111.107 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 52.3 m80 -91.6 44.01 1.16 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.32 -38.55 68.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.081 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -66.87 -31.64 72.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.239 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 3.2 mm? . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 109.975 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 121.07 0.462 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -89.16 123.95 65.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.912 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.08 -42.62 67.19 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.87 2.38 . . . . 0.0 112.66 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.76 -52.14 53.58 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.525 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.1 t -60.04 -42.69 94.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.908 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -62.99 -45.98 89.86 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.214 -0.195 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.6 tp -69.14 -52.08 31.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.817 0.341 . . . . 0.0 111.318 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -61.03 -40.5 93.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.455 0.645 . . . . 0.0 110.815 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -109.36 47.91 0.9 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.732 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.3 m -59.56 -30.03 68.34 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.142 0.496 . . . . 0.0 110.31 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -64.29 -39.76 94.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.82 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.352 0.596 . . . . 0.0 110.328 179.509 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 121.057 0.456 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -88.47 125.36 63.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.117 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.22 -42.18 71.17 Favored 'Trans proline' 0 CA--C 1.527 0.145 0 C-N-CA 123.07 2.513 . . . . 0.0 112.721 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 t -65.73 -52.02 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 110.65 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.94 -41.99 97.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.624 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -63.5 -44.26 94.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.635 0.255 . . . . 0.0 111.051 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.7 tp -71.42 -52.5 18.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.597 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.428 ' OE1' ' CE1' ' A' ' 12' ' ' HIS . 25.0 tt0 -61.9 -50.56 71.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.422 0.629 . . . . 0.0 110.861 -179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.44 ' HB3' HD23 ' A' ' 15' ' ' LEU . 37.4 m80 -95.72 47.2 1.1 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.695 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.83 -34.62 69.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.089 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -63.11 -34.4 77.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.703 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 12' ' ' HIS . 3.1 mm? . . . . . 0 C--N 1.331 -0.211 0 CA-C-O 121.257 0.551 . . . . 0.0 110.461 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.0 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -87.24 129.39 51.82 Favored Pre-proline 0 N--CA 1.453 -0.311 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.103 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.48 -41.91 64.64 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 123.073 2.515 . . . . 0.0 113.121 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.9 t -63.79 -52.46 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.973 0.416 . . . . 0.0 110.604 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.9 t -60.9 -42.65 98.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.162 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -62.95 -45.38 92.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 mp -73.93 -49.8 23.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' OE1' ' CE1' ' A' ' 12' ' ' HIS . 26.6 tt0 -61.8 -51.13 69.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.419 0.628 . . . . 0.0 111.001 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.419 ' CE1' ' OE1' ' A' ' 11' ' ' GLU . 33.5 m80 -97.45 43.86 1.06 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.833 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -54.36 -38.74 66.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.589 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -64.29 -33.1 75.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.331 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 121.338 0.589 . . . . 0.0 110.636 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 121.082 0.468 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -88.52 129.14 50.27 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.16 -40.7 80.81 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.925 2.417 . . . . 0.0 112.872 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 t -65.52 -52.91 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.644 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.3 t -60.61 -42.78 97.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.216 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -63.31 -44.51 94.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.166 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -70.64 -53.5 15.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.836 0.35 . . . . 0.0 111.408 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' OE1' ' CE1' ' A' ' 12' ' ' HIS . 24.8 tt0 -60.96 -50.62 72.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.463 0.649 . . . . 0.0 110.878 -179.622 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.418 ' CE1' ' OE1' ' A' ' 11' ' ' GLU . 36.0 m80 -96.96 43.91 1.06 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.903 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.1 t -58.05 -33.97 69.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.587 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -65.59 -33.51 76.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.745 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' ' 12' ' ' HIS . 7.0 mp . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 121.21 0.529 . . . . 0.0 109.97 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 121.079 0.466 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -88.52 125.99 61.56 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.529 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -56.11 -44.24 48.77 Favored 'Trans proline' 0 CA--C 1.527 0.125 0 C-N-CA 122.785 2.323 . . . . 0.0 112.561 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 3.3 t -63.89 -49.71 80.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-O 121.211 0.529 . . . . 0.0 110.677 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.95 -42.16 99.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.718 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -63.58 -47.26 82.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.344 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.49 -54.68 18.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.759 0.314 . . . . 0.0 111.466 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 3.7 tp10 -61.74 -50.4 72.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -96.46 48.16 1.08 Allowed 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.571 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.5 m -62.35 -27.6 69.17 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -64.25 -40.58 96.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.566 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 121.184 0.516 . . . . 0.0 110.184 179.47 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 121.157 0.503 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 6.0 m120 -88.77 122.33 69.23 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.69 179.019 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 5' ' ' ASN . 9.4 Cg_endo -53.57 -40.79 77.8 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 123.003 2.469 . . . . 0.0 112.637 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.7 t -65.07 -52.62 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-O 120.969 0.414 . . . . 0.0 110.446 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 t -59.18 -42.35 90.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.954 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -60.68 -47.15 87.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.196 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.7 mt -72.39 -50.27 27.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.825 0.345 . . . . 0.0 111.394 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -59.31 -39.88 84.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.515 0.674 . . . . 0.0 110.808 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -111.64 47.47 1.03 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.687 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.6 m -57.78 -28.58 64.12 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -63.66 -36.66 84.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.482 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.26 0.552 . . . . 0.0 110.08 179.476 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.934 0.397 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -89.31 125.53 61.5 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.54 -42.72 65.07 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.996 2.464 . . . . 0.0 112.38 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.1 t -66.1 -52.9 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.382 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.8 t -58.03 -42.22 84.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.175 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -62.38 -46.81 86.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.45 0.166 . . . . 0.0 111.119 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.3 tp -71.77 -51.02 24.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.819 0.342 . . . . 0.0 111.262 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.42 -38.14 79.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.939 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.401 ' HB3' HD23 ' A' ' 15' ' ' LEU . 81.5 m-70 -114.09 48.13 1.13 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.642 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.2 m -57.73 -32.64 67.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -62.7 -36.05 81.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.743 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.401 HD23 ' HB3' ' A' ' 12' ' ' HIS . 3.1 mm? . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.352 0.596 . . . . 0.0 110.184 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -87.7 128.29 55.02 Favored Pre-proline 0 N--CA 1.454 -0.275 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.275 178.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -53.01 -41.1 73.97 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.985 2.457 . . . . 0.0 113.031 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 t -63.84 -52.97 50.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.975 0.417 . . . . 0.0 110.516 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.9 t -60.93 -40.66 94.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.033 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -60.76 -45.07 95.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.416 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.3 mt -76.62 -50.12 14.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.575 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.581 ' OE1' ' CE1' ' A' ' 12' ' ' HIS . 40.0 tt0 -60.41 -43.97 96.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.339 0.59 . . . . 0.0 111.171 -179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.581 ' CE1' ' OE1' ' A' ' 11' ' ' GLU . 41.4 m80 -106.12 45.9 0.95 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.076 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 p -55.26 -32.63 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.962 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -58.95 -42.91 90.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.311 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 121.075 0.464 . . . . 0.0 110.142 179.348 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -87.62 128.35 54.94 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.23 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.73 -39.09 84.91 Favored 'Trans proline' 0 CA--C 1.527 0.146 0 C-N-CA 123.147 2.565 . . . . 0.0 112.722 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.1 t -64.71 -53.47 41.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.942 0.401 . . . . 0.0 110.504 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.7 t -60.06 -41.67 92.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.224 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -58.28 -47.24 84.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.686 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 10' ' ' LEU . 4.2 mm? -79.17 -49.11 13.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.596 ' OE1' ' CE1' ' A' ' 12' ' ' HIS . 39.7 tt0 -59.62 -35.0 73.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.305 0.574 . . . . 0.0 111.254 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.596 ' CE1' ' OE1' ' A' ' 11' ' ' GLU . 37.0 m80 -119.42 46.83 1.82 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.654 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.2 m -56.15 -36.2 68.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -62.74 -36.82 84.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.927 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.172 0.51 . . . . 0.0 110.207 179.737 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 121.288 0.566 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -88.04 125.44 64.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.603 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.64 -38.17 90.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.003 2.469 . . . . 0.0 112.422 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.9 t -64.95 -53.54 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.374 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.9 t -61.22 -39.45 90.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.198 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -58.35 -45.61 87.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.285 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.2 mp -80.72 -50.68 9.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.598 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.1 -44.92 87.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.391 0.615 . . . . 0.0 111.066 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.465 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 89.4 m-70 -107.74 47.48 0.89 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.738 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 p -57.3 -33.98 68.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.455 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -68.21 -36.73 79.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.687 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.465 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 8.1 mp . . . . . 0 C--N 1.332 -0.192 0 CA-C-O 121.203 0.525 . . . . 0.0 110.111 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 121.033 0.444 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -87.36 131.63 43.59 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.745 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.68 -41.85 52.43 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 123.193 2.595 . . . . 0.0 113.416 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 t -65.88 -55.66 18.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 CA-C-O 121.068 0.461 . . . . 0.0 110.614 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.4 t -60.73 -38.05 83.82 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.383 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -61.25 -49.41 77.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.747 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mp -79.04 -50.03 11.72 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.76 -26.79 62.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.308 0.575 . . . . 0.0 111.43 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -132.94 45.01 2.79 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.935 -0.478 . . . . 0.0 111.241 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.3 m -60.55 -25.86 66.48 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.983 0.421 . . . . 0.0 110.909 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.405 ' ND2' ' HG ' ' A' ' 15' ' ' LEU . 16.1 p-10 -63.16 -32.99 74.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.528 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HG ' ' ND2' ' A' ' 14' ' ' ASN . 91.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.495 0.664 . . . . 0.0 110.722 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 121.222 0.534 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -87.05 127.31 59.91 Favored Pre-proline 0 N--CA 1.451 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.428 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.13 -40.0 60.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 123.296 2.664 . . . . 0.0 113.282 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.0 t -64.49 -55.97 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-O 121.002 0.43 . . . . 0.0 110.424 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.6 t -60.63 -39.68 89.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.398 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -60.39 -47.53 85.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.565 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -79.72 -47.84 14.64 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.416 ' OE1' ' CE1' ' A' ' 12' ' ' HIS . 27.1 tt0 -57.92 -44.09 86.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.389 0.614 . . . . 0.0 110.834 -179.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.416 ' CE1' ' OE1' ' A' ' 11' ' ' GLU . 32.6 m80 -107.13 42.67 1.27 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.723 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 t -56.58 -30.41 63.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.801 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -60.15 -38.31 82.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.676 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.407 0.623 . . . . 0.0 110.099 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 120.881 0.372 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -89.01 126.59 58.65 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.28 -44.68 44.04 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.777 2.318 . . . . 0.0 112.526 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 t -63.89 -51.09 73.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 121.102 0.477 . . . . 0.0 110.428 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.14 -40.78 91.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.949 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -62.88 -45.41 92.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 10' ' ' LEU . 4.2 mm? -73.71 -49.37 26.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.643 0.259 . . . . 0.0 111.626 -179.15 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.589 ' OE1' ' CE1' ' A' ' 12' ' ' HIS . 40.8 tt0 -61.04 -43.38 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.529 0.68 . . . . 0.0 110.677 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.589 ' CE1' ' OE1' ' A' ' 11' ' ' GLU . 35.6 m80 -106.54 46.98 0.9 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.503 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -57.49 -36.29 71.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.086 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -63.33 -30.59 71.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.059 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.454 HD12 ' HB3' ' A' ' 12' ' ' HIS . 92.2 mt . . . . . 0 C--N 1.331 -0.231 0 CA-C-O 121.056 0.455 . . . . 0.0 110.553 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.31 0 N-CA-C 112.919 -0.073 . . . . 0.0 112.919 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.57 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 40.1 t -52.12 -41.88 62.85 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.338 0.655 . . . . 0.0 112.017 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.559 ' SG ' ' HA3' ' A' ' 21' ' ' GLY . 72.2 m -56.19 -21.29 22.17 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -61.93 -36.81 82.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.24 0.543 . . . . 0.0 109.847 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.507 ' HB2' ' HB2' ' A' ' 8' ' ' CYS . 6.2 m120 -89.72 123.61 66.01 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.813 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.29 -42.68 65.41 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.84 2.36 . . . . 0.0 112.022 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.1 t -65.23 -48.7 82.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.13 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.57 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 5.3 t -55.8 -42.79 76.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.951 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -56.58 -45.92 81.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.422 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.2 tp -79.04 -50.85 10.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.901 0.381 . . . . 0.0 111.343 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -57.84 -39.44 77.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.039 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -114.19 53.94 0.77 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.606 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.1 m -58.84 -26.53 64.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.711 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -63.24 -37.26 86.52 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.885 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.8 mt -79.68 -51.64 8.97 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.5 m -81.13 40.31 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.74 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -172.41 33.15 0.13 Allowed Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.89 -46.99 0.18 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.208 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.77 23.14 3.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.361 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 58.02 24.91 11.65 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.023 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.559 ' HA3' ' SG ' ' A' ' 3' ' ' CYS . . . 75.02 -53.24 2.58 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 116.1 -0.5 . . . . 0.0 113.629 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.421 -179.811 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.449 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 36.2 t -64.79 -35.36 80.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.647 0.736 . . . . 0.0 109.398 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.56 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 84.7 m -59.44 -18.06 36.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.627 -1.17 . . . . 0.0 112.313 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.1 m -65.57 -23.63 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -87.26 128.74 54.2 Favored Pre-proline 0 N--CA 1.451 -0.383 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.87 -40.89 65.65 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 123.292 2.662 . . . . 0.0 113.187 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.6 t -64.42 -53.74 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.048 0.451 . . . . 0.0 110.533 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 24.7 t -60.61 -41.93 95.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.488 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -61.96 -47.17 86.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.614 0.228 . . . . 0.0 111.614 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 10' ' ' LEU . 4.3 mm? -74.53 -48.45 26.93 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -61.39 -46.17 91.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.321 0.581 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -102.25 46.93 0.91 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.91 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.7 m -59.42 -25.42 64.31 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.993 0.425 . . . . 0.0 110.798 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -64.48 -34.12 77.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.407 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -93.56 -41.04 9.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.512 0.672 . . . . 0.0 109.823 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.6 m -83.25 42.18 0.8 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.422 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.11 135.54 15.68 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.398 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.86 -115.66 8.06 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.854 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.85 -33.04 70.0 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 122.539 0.336 . . . . 0.0 111.597 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 3' ' ' CYS . . . 63.98 46.55 3.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.674 179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.79 130.02 12.55 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.396 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.751 -179.729 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.449 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.643 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 53.8 t -63.58 -43.11 97.93 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.01 -0.595 . . . . 0.0 110.3 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.414 ' SG ' ' HA3' ' A' ' 21' ' ' GLY . 68.0 m -60.47 -25.16 65.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.881 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.4 m -62.5 -34.69 77.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.274 0.559 . . . . 0.0 109.873 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -89.91 124.81 62.68 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.954 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.79 -43.65 55.31 Favored 'Trans proline' 0 CA--C 1.527 0.147 0 C-N-CA 122.765 2.31 . . . . 0.0 112.519 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 t -64.78 -48.34 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.551 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.643 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.8 t -59.23 -45.65 90.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.547 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -59.59 -44.21 93.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.302 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 tp -72.45 -55.06 7.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.783 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -61.62 -49.84 74.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.444 0.64 . . . . 0.0 111.665 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -91.5 60.03 3.98 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.755 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -56.14 -34.15 65.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.031 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -65.78 -43.57 88.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.018 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.824 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 94.5 mt -69.15 -46.61 67.18 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.144 0.497 . . . . 0.0 110.158 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 m -93.45 48.45 1.31 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.13 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.45 -42.64 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.228 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.76 55.96 0.21 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.72 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.824 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -147.98 -78.48 0.15 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.874 0.337 . . . . 0.0 111.416 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -174.67 61.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.455 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.414 ' HA3' ' SG ' ' A' ' 3' ' ' CYS . . . -78.08 44.95 2.45 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.99 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.346 0 N-CA-C 112.248 -0.341 . . . . 0.0 112.248 179.666 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 N-CA-C 112.798 -0.121 . . . . 0.0 112.798 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.613 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 44.3 t -59.27 -44.74 92.42 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.037 0.446 . . . . 0.0 110.988 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.0 m -65.07 -31.93 73.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.146 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 m -65.83 -32.83 74.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.862 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -88.39 123.05 69.12 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.055 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.56 -40.74 82.47 Favored 'Trans proline' 0 CA--C 1.527 0.172 0 C-N-CA 122.981 2.454 . . . . 0.0 112.61 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 t -65.31 -51.79 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 CA-C-O 121.045 0.45 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.613 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.5 t -61.48 -42.2 98.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.705 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -64.1 -45.99 86.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.485 0.183 . . . . 0.0 110.894 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.1 -52.07 32.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.521 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -62.47 -48.33 80.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.391 0.615 . . . . 0.0 110.833 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -98.89 49.34 0.96 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.857 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -61.03 -23.89 65.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.138 0.494 . . . . 0.0 110.511 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -66.76 -33.04 74.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.33 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.5 mt -91.44 -49.28 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.328 0.585 . . . . 0.0 110.661 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.8 m -95.83 50.44 1.2 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.628 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.49 -41.44 93.39 Favored Glycine 0 N--CA 1.452 -0.276 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.82 -122.53 5.09 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.02 46.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.198 0.523 . . . . 0.0 110.143 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.75 33.23 4.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.828 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.65 121.69 3.53 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.563 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 121.398 -0.43 . . . . 0.0 112.629 -179.478 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.493 0 N-CA-C 113.692 0.237 . . . . 0.0 113.692 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.588 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 41.9 t -60.66 -47.8 84.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.804 0.335 . . . . 0.0 111.363 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 64.4 m -64.73 -28.75 69.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 m -68.29 -30.6 69.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.12 0.486 . . . . 0.0 110.316 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -89.0 124.27 65.5 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.37 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.54 -42.22 70.03 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.965 2.443 . . . . 0.0 112.587 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.04 -51.77 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.937 0.399 . . . . 0.0 110.702 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.588 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.3 t -60.29 -41.97 94.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.614 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -63.12 -43.71 97.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -71.49 -53.95 12.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.43 -50.73 72.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.416 0.627 . . . . 0.0 110.976 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -96.87 48.19 1.06 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.867 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -58.18 -35.17 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.681 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -62.62 -40.82 98.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.647 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.09 -46.41 34.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.302 0.573 . . . . 0.0 110.642 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.8 m -87.28 40.36 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.029 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.16 -40.8 87.88 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.81 34.32 0.49 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.901 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.471 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . . . -79.2 -39.02 34.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.002 0.43 . . . . 0.0 110.635 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 59.61 32.14 21.37 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.053 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.83 -137.31 4.36 Favored Glycine 0 N--CA 1.448 -0.567 0 C-N-CA 120.263 -0.97 . . . . 0.0 112.57 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.345 0 C-N-CA 121.583 -0.342 . . . . 0.0 113.054 179.623 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.257 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.654 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 49.6 t -60.75 -39.32 88.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.654 0.74 . . . . 0.0 110.075 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.2 m -63.64 -29.8 70.99 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.894 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 m -64.6 -32.3 73.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 0.0 110.361 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 58.6 m-20 -89.56 125.28 61.88 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.112 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 5' ' ' ASN . 11.9 Cg_endo -56.32 -43.35 56.7 Favored 'Trans proline' 0 CA--C 1.528 0.189 0 C-N-CA 122.843 2.362 . . . . 0.0 112.601 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.8 t -65.46 -50.2 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.654 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.4 t -58.93 -44.0 91.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.662 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -62.19 -45.37 93.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.2 tp -68.35 -52.03 37.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.459 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.82 -48.55 76.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.326 0.584 . . . . 0.0 111.112 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.69 ' HB3' HD13 ' A' ' 15' ' ' LEU . 80.0 m-70 -98.14 50.54 1.02 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.81 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -60.42 -27.19 67.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.914 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -67.15 -34.31 77.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.507 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.69 HD13 ' HB3' ' A' ' 12' ' ' HIS . 6.2 mp -79.68 -49.28 12.34 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.563 0.696 . . . . 0.0 109.399 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.9 m -90.12 45.23 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.557 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.43 40.19 0.65 Allowed Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.42 -111.44 0.3 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.25 51.09 1.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.002 0.43 . . . . 0.0 110.663 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.36 47.65 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.769 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.24 148.11 10.89 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.188 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.718 179.782 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.327 0 CA-C-O 121.159 0.311 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 41.0 t -60.9 -34.31 74.47 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.484 0.659 . . . . 0.0 109.941 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.673 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 68.8 m -58.1 -18.71 26.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.499 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.6 m -64.27 -21.24 66.52 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -87.88 130.87 45.04 Favored Pre-proline 0 N--CA 1.454 -0.257 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.05 -41.61 70.48 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 123.02 2.48 . . . . 0.0 113.073 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 t -65.93 -50.33 70.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.085 0.469 . . . . 0.0 110.977 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 11.4 t -62.29 -44.84 95.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.487 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.537 ' HA ' ' SG ' ' A' ' 16' ' ' CYS . 11.6 t-80 -61.79 -42.91 99.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 111.167 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.3 tp -72.53 -53.2 12.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.182 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -64.94 -49.48 70.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.078 0.466 . . . . 0.0 111.107 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 78.3 m-70 -91.6 44.01 1.16 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.32 -38.55 68.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.081 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -66.87 -31.64 72.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.239 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 3.2 mm? -85.04 -31.93 23.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 109.975 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.537 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 90.6 m -87.12 46.38 1.37 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.954 -179.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.96 57.16 2.69 Favored Glycine 0 CA--C 1.52 0.368 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.903 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.45 -152.69 9.59 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.27 -77.85 0.41 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.076 0.465 . . . . 0.0 110.737 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.673 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . -81.35 -18.85 44.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.197 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.547 ' HA3' ' SG ' ' A' ' 3' ' ' CYS . . . 57.53 -133.55 52.65 Favored Glycine 0 C--N 1.319 -0.412 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.584 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.576 179.748 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.56 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 53.0 t -56.26 -45.7 79.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.166 0.507 . . . . 0.0 111.015 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.0 m -61.63 -31.23 71.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.765 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -66.34 -29.92 70.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.07 0.462 . . . . 0.0 110.394 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -89.16 123.95 65.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.912 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.08 -42.62 67.19 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.87 2.38 . . . . 0.0 112.66 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.76 -52.14 53.58 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.525 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.56 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 5.1 t -60.04 -42.69 94.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.908 -179.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -62.99 -45.98 89.86 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.214 -0.195 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.6 tp -69.14 -52.08 31.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.817 0.341 . . . . 0.0 111.318 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -61.03 -40.5 93.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.455 0.645 . . . . 0.0 110.815 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -109.36 47.91 0.9 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.732 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.3 m -59.56 -30.03 68.34 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.142 0.496 . . . . 0.0 110.31 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -64.29 -39.76 94.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.82 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.5 mt -80.42 -47.03 14.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.352 0.596 . . . . 0.0 110.328 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.22 41.29 0.92 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.218 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.38 -46.79 67.51 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.08 36.57 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.463 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -167.24 45.55 0.05 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.821 0.31 . . . . 0.0 111.195 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -160.67 42.44 0.18 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.017 0.437 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.55 45.46 1.84 Allowed Glycine 0 CA--C 1.521 0.459 0 CA-C-N 116.016 -0.538 . . . . 0.0 113.339 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.437 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.354 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.104 0 N-CA-C 113.236 0.054 . . . . 0.0 113.236 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.637 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 51.9 t -58.1 -48.39 80.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.168 0.509 . . . . 0.0 110.744 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.596 ' SG ' ' HA3' ' A' ' 21' ' ' GLY . 40.7 m -62.45 -28.99 70.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.807 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 m -67.71 -30.26 69.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.057 0.456 . . . . 0.0 110.427 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -88.47 125.36 63.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.117 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.22 -42.18 71.17 Favored 'Trans proline' 0 CA--C 1.527 0.145 0 C-N-CA 123.07 2.513 . . . . 0.0 112.721 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 t -65.73 -52.02 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 110.65 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.637 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 3.9 t -60.94 -41.99 97.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.624 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -63.5 -44.26 94.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.635 0.255 . . . . 0.0 111.051 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.7 tp -71.42 -52.5 18.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.597 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.9 -50.56 71.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.422 0.629 . . . . 0.0 110.861 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.44 ' HB3' HD23 ' A' ' 15' ' ' LEU . 68.3 m-70 -95.72 47.2 1.1 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.695 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.83 -34.62 69.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.089 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -63.11 -34.4 77.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.703 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 12' ' ' HIS . 3.1 mm? -84.77 -43.34 14.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.257 0.551 . . . . 0.0 110.461 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.0 m -97.12 50.55 1.09 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.462 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.31 48.82 1.85 Allowed Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.29 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.7 -134.41 3.27 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.14 46.32 0.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.177 0.513 . . . . 0.0 110.629 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.42 48.1 1.27 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.169 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.596 ' HA3' ' SG ' ' A' ' 3' ' ' CYS . . . -96.46 -126.59 5.22 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.739 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.692 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.282 -179.637 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.368 0 N-CA-C 113.939 0.335 . . . . 0.0 113.939 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.2 t -61.6 -35.14 76.99 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.495 0.664 . . . . 0.0 109.969 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.82 ' SG ' ' HA3' ' A' ' 21' ' ' GLY . 86.2 m -61.19 -12.94 14.64 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.68 -1.146 . . . . 0.0 112.804 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.0 m -66.87 -22.87 65.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -87.24 129.39 51.82 Favored Pre-proline 0 N--CA 1.453 -0.311 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.103 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.48 -41.91 64.64 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 123.073 2.515 . . . . 0.0 113.121 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.9 t -63.79 -52.46 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.973 0.416 . . . . 0.0 110.604 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.9 t -60.9 -42.65 98.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.162 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.673 ' HA ' ' SG ' ' A' ' 16' ' ' CYS . 11.3 t-80 -62.95 -45.38 92.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 mp -73.93 -49.8 23.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -61.8 -51.13 69.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.419 0.628 . . . . 0.0 111.001 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -97.45 43.86 1.06 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.833 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -54.36 -38.74 66.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.589 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -64.29 -33.1 75.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.331 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -87.21 -29.09 21.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.338 0.589 . . . . 0.0 110.636 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.673 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 61.9 m -80.41 41.31 0.53 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.742 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.3 -149.63 22.58 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.38 -130.72 49.06 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.341 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.63 -48.26 11.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.03 0.443 . . . . 0.0 111.049 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -167.88 41.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.935 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.82 ' HA3' ' SG ' ' A' ' 3' ' ' CYS . . . 66.9 -129.75 30.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.844 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.342 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.707 -179.085 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.275 0 N-CA-C 113.208 0.043 . . . . 0.0 113.208 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 9.0 t -59.16 -39.82 83.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.137 0.494 . . . . 0.0 110.53 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.407 ' SG ' ' HA2' ' A' ' 21' ' ' GLY . 83.6 m -58.26 -22.98 54.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.501 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 m -68.12 -19.41 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.082 0.468 . . . . 0.0 110.334 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -88.52 129.14 50.27 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.16 -40.7 80.81 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.925 2.417 . . . . 0.0 112.872 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 t -65.52 -52.91 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.644 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 47.3 t -60.61 -42.78 97.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.216 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -63.31 -44.51 94.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.166 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -70.64 -53.5 15.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.836 0.35 . . . . 0.0 111.408 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.96 -50.62 72.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.463 0.649 . . . . 0.0 110.878 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.41 ' HB3' HD13 ' A' ' 15' ' ' LEU . 67.2 m-70 -96.96 43.91 1.06 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.903 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.1 t -58.05 -33.97 69.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.587 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -65.59 -33.51 76.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.745 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' ' 12' ' ' HIS . 7.0 mp -81.44 -46.72 14.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.21 0.529 . . . . 0.0 109.97 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.1 m -85.71 36.37 0.65 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.54 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.54 42.71 2.54 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.286 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.62 -138.98 5.34 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.385 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.75 29.46 2.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.381 0.61 . . . . 0.0 110.579 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.62 31.76 1.16 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.917 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.407 ' HA2' ' SG ' ' A' ' 3' ' ' CYS . . . -69.36 69.49 0.51 Allowed Glycine 0 CA--C 1.519 0.327 0 CA-C-N 114.899 -1.046 . . . . 0.0 113.376 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.476 0 N-CA-C 113.644 0.218 . . . . 0.0 113.644 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.627 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 43.7 t -59.44 -48.94 79.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.684 0.278 . . . . 0.0 111.484 -179.212 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.5 m -63.4 -29.14 70.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.607 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.4 m -69.66 -29.97 67.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.079 0.466 . . . . 0.0 110.592 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -88.52 125.99 61.56 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.529 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -56.11 -44.24 48.77 Favored 'Trans proline' 0 CA--C 1.527 0.125 0 C-N-CA 122.785 2.323 . . . . 0.0 112.561 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 3.3 t -63.89 -49.71 80.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-O 121.211 0.529 . . . . 0.0 110.677 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.627 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 2.8 t -62.95 -42.16 99.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.718 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -63.58 -47.26 82.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.344 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.49 -54.68 18.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.759 0.314 . . . . 0.0 111.466 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 3.7 tp10 -61.74 -50.4 72.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -96.46 48.16 1.08 Allowed 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.571 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.5 m -62.35 -27.6 69.17 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -64.25 -40.58 96.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.566 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt -80.65 -45.64 16.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.184 0.516 . . . . 0.0 110.184 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.94 39.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.039 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.54 -38.93 86.99 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.26 33.02 0.46 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.857 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.68 -37.55 41.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.036 0.446 . . . . 0.0 110.579 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 59.72 30.71 20.31 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.065 -0.97 . . . . 0.0 112.191 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 167.23 -133.94 3.09 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.265 -0.969 . . . . 0.0 112.635 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.235 0 C-N-CA 121.477 -0.392 . . . . 0.0 113.092 179.773 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.432 0 N-CA-C 113.288 0.075 . . . . 0.0 113.288 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.64 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 48.8 t -54.85 -47.74 73.79 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 122.755 0.422 . . . . 0.0 111.48 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.69 ' SG ' ' HA2' ' A' ' 21' ' ' GLY . 83.5 m -62.6 -26.51 68.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.167 -179.178 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 m -66.24 -33.5 75.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.157 0.503 . . . . 0.0 110.084 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 6.0 m120 -88.77 122.33 69.23 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.69 179.019 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 5' ' ' ASN . 9.4 Cg_endo -53.57 -40.79 77.8 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 123.003 2.469 . . . . 0.0 112.637 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.7 t -65.07 -52.62 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-O 120.969 0.414 . . . . 0.0 110.446 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.64 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.7 t -59.18 -42.35 90.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.954 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -60.68 -47.15 87.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.196 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.7 mt -72.39 -50.27 27.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.825 0.345 . . . . 0.0 111.394 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -59.31 -39.88 84.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.515 0.674 . . . . 0.0 110.808 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -111.64 47.47 1.03 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.687 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.6 m -57.78 -28.58 64.12 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -63.66 -36.66 84.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.482 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.4 mt -84.66 -46.29 11.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.26 0.552 . . . . 0.0 110.08 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 m -82.5 41.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.024 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.43 -46.97 23.88 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.588 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.92 135.99 2.31 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.315 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 59.1 40.43 21.96 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.091 0.472 . . . . 0.0 111.74 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.71 55.92 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.37 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.69 ' HA2' ' SG ' ' A' ' 3' ' ' CYS . . . -59.17 -64.19 4.49 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.722 -0.672 . . . . 0.0 113.001 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.517 0 N-CA-C 114.2 0.44 . . . . 0.0 114.2 179.306 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.167 -0.373 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 25.6 t -49.4 -43.29 44.27 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.386 0.613 . . . . 0.0 111.656 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.2 m -57.79 -26.51 62.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.926 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.8 t -65.81 -29.96 70.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.934 0.397 . . . . 0.0 110.337 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -89.31 125.53 61.5 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.54 -42.72 65.07 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.996 2.464 . . . . 0.0 112.38 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.1 t -66.1 -52.9 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.382 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.517 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 5.8 t -58.03 -42.22 84.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.175 -179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -62.38 -46.81 86.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.45 0.166 . . . . 0.0 111.119 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.3 tp -71.77 -51.02 24.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.819 0.342 . . . . 0.0 111.262 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.42 -38.14 79.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.939 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.401 ' HB3' HD23 ' A' ' 15' ' ' LEU . 81.5 m-70 -114.09 48.13 1.13 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.642 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.2 m -57.73 -32.64 67.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -62.7 -36.05 81.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.743 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.401 HD23 ' HB3' ' A' ' 12' ' ' HIS . 3.1 mm? -86.13 -38.01 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.352 0.596 . . . . 0.0 110.184 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -96.49 51.16 1.17 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.176 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.93 47.51 1.9 Allowed Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.52 -128.25 1.7 Allowed Glycine 0 N--CA 1.442 -0.927 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.2 45.51 0.81 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.874 0.369 . . . . 0.0 111.161 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.61 37.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.095 0.474 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.64 46.56 3.67 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.193 -0.527 . . . . 0.0 113.127 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.275 0 N-CA-C 113.502 0.161 . . . . 0.0 113.502 179.6 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.275 0 N-CA-C 113.485 0.154 . . . . 0.0 113.485 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.6 t -69.83 -34.93 74.31 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.303 0.573 . . . . 0.0 110.097 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.4 m -60.52 -14.6 20.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.981 -1.008 . . . . 0.0 112.397 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -64.09 -25.32 68.05 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -87.7 128.29 55.02 Favored Pre-proline 0 N--CA 1.454 -0.275 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.275 178.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -53.01 -41.1 73.97 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.985 2.457 . . . . 0.0 113.031 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 t -63.84 -52.97 50.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.975 0.417 . . . . 0.0 110.516 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.9 t -60.93 -40.66 94.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.033 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.641 ' HA ' ' SG ' ' A' ' 16' ' ' CYS . 18.6 t-80 -60.76 -45.07 95.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.416 -179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.3 mt -76.62 -50.12 14.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.575 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -60.41 -43.97 96.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.339 0.59 . . . . 0.0 111.171 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -106.12 45.9 0.95 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.076 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 p -55.26 -32.63 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.962 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -58.95 -42.91 90.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.311 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.22 -40.31 27.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.075 0.464 . . . . 0.0 110.142 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.641 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 80.3 m -79.48 41.5 0.47 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.328 -179.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.56 -45.31 0.17 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.351 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.14 -39.52 31.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.01 -0.614 . . . . 0.0 113.398 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.16 -83.03 0.43 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 117.16 0.48 . . . . 0.0 111.249 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 176.04 43.92 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.73 139.86 29.41 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.247 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.037 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.324 0 N-CA-C 111.992 -0.443 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.8 t -75.0 -33.24 61.81 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.488 0.661 . . . . 0.0 109.296 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.2 m -58.47 -18.09 26.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.241 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m -62.96 -25.13 68.22 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -87.62 128.35 54.94 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.23 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.73 -39.09 84.91 Favored 'Trans proline' 0 CA--C 1.527 0.146 0 C-N-CA 123.147 2.565 . . . . 0.0 112.722 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.1 t -64.71 -53.47 41.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.942 0.401 . . . . 0.0 110.504 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.7 t -60.06 -41.67 92.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.224 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -58.28 -47.24 84.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.686 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 10' ' ' LEU . 4.2 mm? -79.17 -49.11 13.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.62 -35.0 73.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.305 0.574 . . . . 0.0 111.254 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -119.42 46.83 1.82 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.654 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.2 m -56.15 -36.2 68.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -62.74 -36.82 84.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.927 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -79.31 -37.55 37.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.172 0.51 . . . . 0.0 110.207 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.2 m -82.33 40.13 0.63 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.791 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.39 44.32 3.27 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.201 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.92 -111.4 3.26 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.152 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 58.61 24.69 12.34 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 122.977 0.511 . . . . 0.0 111.97 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 58.21 36.29 25.64 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.76 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.49 139.75 6.74 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.898 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.587 0 C-N-CA 119.89 -1.147 . . . . 0.0 113.201 -179.412 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.341 0 N-CA-C 113.656 0.222 . . . . 0.0 113.656 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 6.0 t -71.01 -34.75 71.63 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.15 0.5 . . . . 0.0 109.976 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.2 m -58.87 -23.56 61.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.13 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.6 m -62.77 -25.51 68.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.288 0.566 . . . . 0.0 110.132 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -88.04 125.44 64.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.603 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.64 -38.17 90.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.003 2.469 . . . . 0.0 112.422 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.9 t -64.95 -53.54 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.374 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 35.9 t -61.22 -39.45 90.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.198 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -58.35 -45.61 87.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.285 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.2 mp -80.72 -50.68 9.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.598 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.1 -44.92 87.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.391 0.615 . . . . 0.0 111.066 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.465 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 89.4 m-70 -107.74 47.48 0.89 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.738 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 p -57.3 -33.98 68.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.455 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 64.3 m-20 -68.21 -36.73 79.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.687 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.465 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 8.1 mp -74.1 -45.71 47.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.203 0.525 . . . . 0.0 110.111 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.7 m -88.23 34.19 0.74 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.079 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -96.4 132.35 11.0 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.983 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.1 29.19 74.73 Favored Glycine 0 C--O 1.228 -0.26 0 C-N-CA 121.133 -0.556 . . . . 0.0 113.074 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.21 44.79 12.29 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.165 0.507 . . . . 0.0 111.441 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.28 25.37 1.4 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.349 0.595 . . . . 0.0 110.497 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.91 -145.0 6.5 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.621 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.872 179.401 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.306 0 N-CA-C 113.768 0.267 . . . . 0.0 113.768 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 16.9 t -62.09 -43.24 99.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.139 0.495 . . . . 0.0 110.03 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.75 -22.11 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.399 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.5 m -71.5 -17.91 62.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.033 0.444 . . . . 0.0 110.528 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -87.36 131.63 43.59 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.745 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.68 -41.85 52.43 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 123.193 2.595 . . . . 0.0 113.416 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 t -65.88 -55.66 18.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 CA-C-O 121.068 0.461 . . . . 0.0 110.614 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 21.4 t -60.73 -38.05 83.82 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.383 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.49 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 8.2 t-160 -61.25 -49.41 77.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.747 -179.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mp -79.04 -50.03 11.72 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.76 -26.79 62.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.308 0.575 . . . . 0.0 111.43 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -132.94 45.01 2.79 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.935 -0.478 . . . . 0.0 111.241 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.3 m -60.55 -25.86 66.48 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.983 0.421 . . . . 0.0 110.909 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.405 ' ND2' ' HG ' ' A' ' 15' ' ' LEU . 16.1 p-10 -63.16 -32.99 74.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.528 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HG ' ' ND2' ' A' ' 14' ' ' ASN . 91.5 mt -108.33 -43.76 4.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.495 0.664 . . . . 0.0 110.722 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.49 ' O ' ' HD2' ' A' ' 9' ' ' HIS . 1.6 m -93.86 48.94 1.3 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.248 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.46 -50.64 64.8 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.316 -0.945 . . . . 0.0 111.405 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.24 140.91 26.19 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.659 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.23 84.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.086 0.469 . . . . 0.0 111.577 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.56 32.73 3.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.451 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.33 -45.24 96.84 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 115.512 -0.767 . . . . 0.0 113.259 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.197 -1.001 . . . . 0.0 113.065 -179.665 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 112.791 -0.123 . . . . 0.0 112.791 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.423 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 8.8 t -58.47 -38.82 78.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.922 0.392 . . . . 0.0 111.539 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 m -59.46 -18.31 38.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -179.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -67.48 -24.62 65.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.222 0.534 . . . . 0.0 109.983 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -87.05 127.31 59.91 Favored Pre-proline 0 N--CA 1.451 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.428 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.13 -40.0 60.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 123.296 2.664 . . . . 0.0 113.282 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.0 t -64.49 -55.97 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-O 121.002 0.43 . . . . 0.0 110.424 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 48.6 t -60.63 -39.68 89.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.398 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -60.39 -47.53 85.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.565 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -79.72 -47.84 14.64 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -57.92 -44.09 86.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.389 0.614 . . . . 0.0 110.834 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -107.13 42.67 1.27 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.723 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 t -56.58 -30.41 63.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.801 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -60.15 -38.31 82.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.676 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.37 -46.38 8.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.407 0.623 . . . . 0.0 110.099 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 68.3 m -81.88 37.48 0.48 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.323 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.98 -55.21 8.24 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.488 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.09 37.99 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.198 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -163.94 43.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.093 0.473 . . . . 0.0 110.498 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -160.39 53.07 0.32 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.514 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.39 50.83 2.1 Favored Glycine 0 C--O 1.226 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 113.102 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.417 0 C-N-CA 121.188 -0.53 . . . . 0.0 112.428 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.256 0 CA-C-O 120.566 -0.019 . . . . 0.0 113.076 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.568 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 46.2 t -52.65 -45.13 66.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.341 0.591 . . . . 0.0 111.194 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.419 ' SG ' ' HA2' ' A' ' 21' ' ' GLY . 16.2 m -58.98 -27.93 65.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.365 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.5 t -70.05 -28.97 65.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.788 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -89.01 126.59 58.65 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.28 -44.68 44.04 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.777 2.318 . . . . 0.0 112.526 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 t -63.89 -51.09 73.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 121.102 0.477 . . . . 0.0 110.428 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.568 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 3.9 t -60.14 -40.78 91.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.949 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -62.88 -45.41 92.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 10' ' ' LEU . 4.2 mm? -73.71 -49.37 26.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.643 0.259 . . . . 0.0 111.626 -179.15 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.04 -43.38 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.529 0.68 . . . . 0.0 110.677 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.454 ' HB3' HD12 ' A' ' 15' ' ' LEU . 64.4 m-70 -106.54 46.98 0.9 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.503 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -57.49 -36.29 71.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.086 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -63.33 -30.59 71.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.059 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.454 HD12 ' HB3' ' A' ' 12' ' ' HIS . 92.2 mt -83.8 -52.95 5.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.056 0.455 . . . . 0.0 110.553 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.7 m -89.89 44.05 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.547 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.66 -49.02 39.27 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.883 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.57 136.74 2.76 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.923 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 58.94 41.31 21.34 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.152 0.501 . . . . 0.0 111.431 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.11 49.71 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.476 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.419 ' HA2' ' SG ' ' A' ' 3' ' ' CYS . . . -70.84 124.99 12.38 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.357 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.518 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.25 -179.674 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.24 0.543 . . . . 0.0 109.847 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.507 ' HB2' ' HB2' ' A' ' 8' ' ' CYS . 6.2 m120 -89.72 123.61 66.01 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.813 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.29 -42.68 65.41 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.84 2.36 . . . . 0.0 112.022 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.1 t -65.23 -48.7 82.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.13 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.507 ' HB2' ' HB2' ' A' ' 5' ' ' ASN . 5.3 t -55.8 -42.79 76.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.951 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -56.58 -45.92 81.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.422 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.2 tp -79.04 -50.85 10.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.901 0.381 . . . . 0.0 111.343 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -57.84 -39.44 77.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.039 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -114.19 53.94 0.77 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.606 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.1 m -58.84 -26.53 64.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.711 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -63.24 -37.26 86.52 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.885 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.8 mt . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.7 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -87.26 128.74 54.2 Favored Pre-proline 0 N--CA 1.451 -0.383 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.87 -40.89 65.65 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 123.292 2.662 . . . . 0.0 113.187 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.6 t -64.42 -53.74 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.048 0.451 . . . . 0.0 110.533 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.7 t -60.61 -41.93 95.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.488 -179.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -61.96 -47.17 86.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.614 0.228 . . . . 0.0 111.614 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 10' ' ' LEU . 4.3 mm? -74.53 -48.45 26.93 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -61.39 -46.17 91.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.321 0.581 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -102.25 46.93 0.91 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.91 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.7 m -59.42 -25.42 64.31 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.993 0.425 . . . . 0.0 110.798 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -64.48 -34.12 77.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.407 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 121.512 0.672 . . . . 0.0 109.823 179.365 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 121.274 0.559 . . . . 0.0 109.873 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -89.91 124.81 62.68 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.954 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.79 -43.65 55.31 Favored 'Trans proline' 0 CA--C 1.527 0.147 0 C-N-CA 122.765 2.31 . . . . 0.0 112.519 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 t -64.78 -48.34 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.551 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.8 t -59.23 -45.65 90.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.547 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -59.59 -44.21 93.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.302 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 tp -72.45 -55.06 7.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.783 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -61.62 -49.84 74.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.444 0.64 . . . . 0.0 111.665 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -91.5 60.03 3.98 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.755 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -56.14 -34.15 65.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.031 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -65.78 -43.57 88.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.018 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.5 mt . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.144 0.497 . . . . 0.0 110.158 179.707 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.455 -0.194 0 CA-C-O 121.031 0.443 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -88.39 123.05 69.12 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.055 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.56 -40.74 82.47 Favored 'Trans proline' 0 CA--C 1.527 0.172 0 C-N-CA 122.981 2.454 . . . . 0.0 112.61 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 t -65.31 -51.79 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 CA-C-O 121.045 0.45 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.5 t -61.48 -42.2 98.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.705 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -64.1 -45.99 86.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.485 0.183 . . . . 0.0 110.894 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.1 -52.07 32.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.521 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -62.47 -48.33 80.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.391 0.615 . . . . 0.0 110.833 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -98.89 49.34 0.96 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.857 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -61.03 -23.89 65.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.138 0.494 . . . . 0.0 110.511 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -66.76 -33.04 74.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.33 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.5 mt . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.328 0.585 . . . . 0.0 110.661 179.886 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 121.12 0.486 . . . . 0.0 110.316 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -89.0 124.27 65.5 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.37 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.54 -42.22 70.03 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.965 2.443 . . . . 0.0 112.587 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.04 -51.77 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.937 0.399 . . . . 0.0 110.702 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.3 t -60.29 -41.97 94.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.614 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -63.12 -43.71 97.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -71.49 -53.95 12.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.43 -50.73 72.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.416 0.627 . . . . 0.0 110.976 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -96.87 48.19 1.06 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.867 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -58.18 -35.17 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.681 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -62.62 -40.82 98.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.647 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.302 0.573 . . . . 0.0 110.642 179.53 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 m . . . . . 0 N--CA 1.454 -0.246 0 CA-C-O 121.163 0.506 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 3.4 m120 -89.56 125.28 61.88 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.112 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 5' ' ' ASN . 11.9 Cg_endo -56.32 -43.35 56.7 Favored 'Trans proline' 0 CA--C 1.528 0.189 0 C-N-CA 122.843 2.362 . . . . 0.0 112.601 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.8 t -65.46 -50.2 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.4 t -58.93 -44.0 91.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.662 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -62.19 -45.37 93.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.2 tp -68.35 -52.03 37.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.459 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.82 -48.55 76.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.326 0.584 . . . . 0.0 111.112 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.69 ' HB3' HD13 ' A' ' 15' ' ' LEU . 80.0 m-70 -98.14 50.54 1.02 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.81 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -60.42 -27.19 67.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.914 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -67.15 -34.31 77.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.507 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.69 HD13 ' HB3' ' A' ' 12' ' ' HIS . 6.2 mp . . . . . 0 C--O 1.234 0.242 0 CA-C-O 121.563 0.696 . . . . 0.0 109.399 178.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.454 -0.234 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -87.88 130.87 45.04 Favored Pre-proline 0 N--CA 1.454 -0.257 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.05 -41.61 70.48 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 123.02 2.48 . . . . 0.0 113.073 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 t -65.93 -50.33 70.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.085 0.469 . . . . 0.0 110.977 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.4 t -62.29 -44.84 95.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.487 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.6 t-80 -61.79 -42.91 99.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 111.167 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.3 tp -72.53 -53.2 12.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.182 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -64.94 -49.48 70.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.078 0.466 . . . . 0.0 111.107 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 78.3 m-70 -91.6 44.01 1.16 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.32 -38.55 68.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.081 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -66.87 -31.64 72.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.239 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 3.2 mm? . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 109.975 179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 121.07 0.462 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -89.16 123.95 65.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.912 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.08 -42.62 67.19 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.87 2.38 . . . . 0.0 112.66 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.76 -52.14 53.58 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.525 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.1 t -60.04 -42.69 94.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.908 -179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -62.99 -45.98 89.86 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.214 -0.195 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.6 tp -69.14 -52.08 31.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.817 0.341 . . . . 0.0 111.318 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -61.03 -40.5 93.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.455 0.645 . . . . 0.0 110.815 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -109.36 47.91 0.9 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.732 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.3 m -59.56 -30.03 68.34 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.142 0.496 . . . . 0.0 110.31 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -64.29 -39.76 94.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.82 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 121.352 0.596 . . . . 0.0 110.328 179.509 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 m . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 121.057 0.456 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -88.47 125.36 63.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.117 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.22 -42.18 71.17 Favored 'Trans proline' 0 CA--C 1.527 0.145 0 C-N-CA 123.07 2.513 . . . . 0.0 112.721 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 t -65.73 -52.02 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 110.65 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.94 -41.99 97.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.624 -179.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -63.5 -44.26 94.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.635 0.255 . . . . 0.0 111.051 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.7 tp -71.42 -52.5 18.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.597 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.9 -50.56 71.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.422 0.629 . . . . 0.0 110.861 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.44 ' HB3' HD23 ' A' ' 15' ' ' LEU . 68.3 m-70 -95.72 47.2 1.1 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.695 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.83 -34.62 69.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.089 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -63.11 -34.4 77.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.703 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 12' ' ' HIS . 3.1 mm? . . . . . 0 C--N 1.331 -0.211 0 CA-C-O 121.257 0.551 . . . . 0.0 110.461 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.0 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -87.24 129.39 51.82 Favored Pre-proline 0 N--CA 1.453 -0.311 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.103 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.48 -41.91 64.64 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 123.073 2.515 . . . . 0.0 113.121 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.9 t -63.79 -52.46 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.973 0.416 . . . . 0.0 110.604 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.9 t -60.9 -42.65 98.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.162 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.3 t-80 -62.95 -45.38 92.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 mp -73.93 -49.8 23.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -61.8 -51.13 69.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.419 0.628 . . . . 0.0 111.001 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -97.45 43.86 1.06 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.833 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -54.36 -38.74 66.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.589 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -64.29 -33.1 75.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.331 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt . . . . . 0 C--N 1.33 -0.242 0 CA-C-O 121.338 0.589 . . . . 0.0 110.636 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 121.082 0.468 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -88.52 129.14 50.27 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.16 -40.7 80.81 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.925 2.417 . . . . 0.0 112.872 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 t -65.52 -52.91 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.644 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.3 t -60.61 -42.78 97.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.216 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -63.31 -44.51 94.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.166 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -70.64 -53.5 15.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.836 0.35 . . . . 0.0 111.408 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.96 -50.62 72.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.463 0.649 . . . . 0.0 110.878 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.41 ' HB3' HD13 ' A' ' 15' ' ' LEU . 67.2 m-70 -96.96 43.91 1.06 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.903 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.1 t -58.05 -33.97 69.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.587 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -65.59 -33.51 76.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.745 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' ' 12' ' ' HIS . 7.0 mp . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 121.21 0.529 . . . . 0.0 109.97 179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.456 -0.162 0 CA-C-O 121.079 0.466 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -88.52 125.99 61.56 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.529 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -56.11 -44.24 48.77 Favored 'Trans proline' 0 CA--C 1.527 0.125 0 C-N-CA 122.785 2.323 . . . . 0.0 112.561 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 3.3 t -63.89 -49.71 80.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-O 121.211 0.529 . . . . 0.0 110.677 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.8 t -62.95 -42.16 99.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.718 -179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -63.58 -47.26 82.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.344 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.49 -54.68 18.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.759 0.314 . . . . 0.0 111.466 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 3.7 tp10 -61.74 -50.4 72.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -96.46 48.16 1.08 Allowed 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.571 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.5 m -62.35 -27.6 69.17 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -64.25 -40.58 96.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.566 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 121.184 0.516 . . . . 0.0 110.184 179.47 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 m . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 121.157 0.503 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 6.0 m120 -88.77 122.33 69.23 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.69 179.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 5' ' ' ASN . 9.4 Cg_endo -53.57 -40.79 77.8 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 123.003 2.469 . . . . 0.0 112.637 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.7 t -65.07 -52.62 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-O 120.969 0.414 . . . . 0.0 110.446 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 t -59.18 -42.35 90.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.954 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -60.68 -47.15 87.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.196 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.7 mt -72.39 -50.27 27.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.825 0.345 . . . . 0.0 111.394 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -59.31 -39.88 84.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.515 0.674 . . . . 0.0 110.808 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -111.64 47.47 1.03 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.687 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.6 m -57.78 -28.58 64.12 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.66 -36.66 84.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.482 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-O 121.26 0.552 . . . . 0.0 110.08 179.476 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.934 0.397 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -89.31 125.53 61.5 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.54 -42.72 65.07 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.996 2.464 . . . . 0.0 112.38 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.1 t -66.1 -52.9 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.382 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.8 t -58.03 -42.22 84.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.175 -179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -62.38 -46.81 86.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.45 0.166 . . . . 0.0 111.119 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.3 tp -71.77 -51.02 24.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.819 0.342 . . . . 0.0 111.262 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.42 -38.14 79.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.939 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.401 ' HB3' HD23 ' A' ' 15' ' ' LEU . 81.5 m-70 -114.09 48.13 1.13 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.642 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.2 m -57.73 -32.64 67.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -62.7 -36.05 81.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.743 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.401 HD23 ' HB3' ' A' ' 12' ' ' HIS . 3.1 mm? . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.352 0.596 . . . . 0.0 110.184 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -87.7 128.29 55.02 Favored Pre-proline 0 N--CA 1.454 -0.275 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.275 178.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -53.01 -41.1 73.97 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.985 2.457 . . . . 0.0 113.031 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 t -63.84 -52.97 50.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.975 0.417 . . . . 0.0 110.516 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.9 t -60.93 -40.66 94.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.033 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -60.76 -45.07 95.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.416 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.3 mt -76.62 -50.12 14.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.575 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -60.41 -43.97 96.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.339 0.59 . . . . 0.0 111.171 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -106.12 45.9 0.95 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.076 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 p -55.26 -32.63 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.962 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -58.95 -42.91 90.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.311 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 121.075 0.464 . . . . 0.0 110.142 179.348 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.454 -0.235 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -87.62 128.35 54.94 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.23 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.73 -39.09 84.91 Favored 'Trans proline' 0 CA--C 1.527 0.146 0 C-N-CA 123.147 2.565 . . . . 0.0 112.722 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.1 t -64.71 -53.47 41.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.942 0.401 . . . . 0.0 110.504 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.7 t -60.06 -41.67 92.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.224 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -58.28 -47.24 84.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.686 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 10' ' ' LEU . 4.2 mm? -79.17 -49.11 13.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.62 -35.0 73.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.305 0.574 . . . . 0.0 111.254 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -119.42 46.83 1.82 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.654 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.2 m -56.15 -36.2 68.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -62.74 -36.82 84.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.927 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.172 0.51 . . . . 0.0 110.207 179.737 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.6 m . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 121.288 0.566 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -88.04 125.44 64.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.603 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.64 -38.17 90.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.003 2.469 . . . . 0.0 112.422 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.9 t -64.95 -53.54 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.374 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.9 t -61.22 -39.45 90.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.198 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -58.35 -45.61 87.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.285 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.2 mp -80.72 -50.68 9.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.598 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.1 -44.92 87.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.391 0.615 . . . . 0.0 111.066 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.465 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 89.4 m-70 -107.74 47.48 0.89 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.738 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 p -57.3 -33.98 68.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.455 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -68.21 -36.73 79.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.687 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.465 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 8.1 mp . . . . . 0 C--N 1.332 -0.192 0 CA-C-O 121.203 0.525 . . . . 0.0 110.111 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 121.033 0.444 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -87.36 131.63 43.59 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.745 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.68 -41.85 52.43 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 123.193 2.595 . . . . 0.0 113.416 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 t -65.88 -55.66 18.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 CA-C-O 121.068 0.461 . . . . 0.0 110.614 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.4 t -60.73 -38.05 83.82 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.383 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 8.2 t-160 -61.25 -49.41 77.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.747 -179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mp -79.04 -50.03 11.72 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.76 -26.79 62.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.308 0.575 . . . . 0.0 111.43 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -132.94 45.01 2.79 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.935 -0.478 . . . . 0.0 111.241 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.3 m -60.55 -25.86 66.48 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.983 0.421 . . . . 0.0 110.909 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.405 ' ND2' ' HG ' ' A' ' 15' ' ' LEU . 16.1 p-10 -63.16 -32.99 74.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.528 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HG ' ' ND2' ' A' ' 14' ' ' ASN . 91.5 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.495 0.664 . . . . 0.0 110.722 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.457 -0.09 0 CA-C-O 121.222 0.534 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -87.05 127.31 59.91 Favored Pre-proline 0 N--CA 1.451 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.428 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.13 -40.0 60.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 123.296 2.664 . . . . 0.0 113.282 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.0 t -64.49 -55.97 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-O 121.002 0.43 . . . . 0.0 110.424 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.6 t -60.63 -39.68 89.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.398 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -60.39 -47.53 85.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.565 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -79.72 -47.84 14.64 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -57.92 -44.09 86.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.389 0.614 . . . . 0.0 110.834 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -107.13 42.67 1.27 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.723 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 t -56.58 -30.41 63.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.801 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -60.15 -38.31 82.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.676 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--N 1.328 -0.352 0 CA-C-O 121.407 0.623 . . . . 0.0 110.099 179.882 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 CA--C 1.527 0.09 0 CA-C-O 120.881 0.372 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -89.01 126.59 58.65 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.28 -44.68 44.04 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.777 2.318 . . . . 0.0 112.526 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 t -63.89 -51.09 73.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 121.102 0.477 . . . . 0.0 110.428 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.14 -40.78 91.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.949 -179.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -62.88 -45.41 92.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 10' ' ' LEU . 4.2 mm? -73.71 -49.37 26.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.643 0.259 . . . . 0.0 111.626 -179.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.04 -43.38 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.529 0.68 . . . . 0.0 110.677 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.454 ' HB3' HD12 ' A' ' 15' ' ' LEU . 64.4 m-70 -106.54 46.98 0.9 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.503 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -57.49 -36.29 71.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.086 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -63.33 -30.59 71.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.059 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.454 HD12 ' HB3' ' A' ' 12' ' ' HIS . 92.2 mt . . . . . 0 C--N 1.331 -0.231 0 CA-C-O 121.056 0.455 . . . . 0.0 110.553 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.31 0 N-CA-C 112.919 -0.073 . . . . 0.0 112.919 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.57 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 40.1 t -52.12 -41.88 62.85 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 123.338 0.655 . . . . 0.0 112.017 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.559 ' SG ' ' HA3' ' A' ' 21' ' ' GLY . 72.2 m -56.19 -21.29 22.17 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.467 0.914 . . . . 0.0 113.467 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -61.93 -36.81 82.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.24 0.543 . . . . 0.0 109.847 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.507 ' HB2' ' HB2' ' A' ' 8' ' ' CYS . 6.2 m120 -89.72 123.61 66.01 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.813 179.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.29 -42.68 65.41 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.84 2.36 . . . . 0.0 112.022 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.1 t -65.23 -48.7 82.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.274 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.13 179.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.57 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 5.3 t -55.8 -42.79 76.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.951 -179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.7 t-80 -56.58 -45.92 81.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.422 -179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.2 tp -79.04 -50.85 10.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.901 0.381 . . . . 0.0 111.343 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -57.84 -39.44 77.72 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.039 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -114.19 53.94 0.77 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.606 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.1 m -58.84 -26.53 64.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.711 179.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -63.24 -37.26 86.52 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.885 178.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.8 mt -79.68 -51.64 8.97 Favored 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 178.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.5 m -81.13 40.31 0.54 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.74 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -172.41 33.15 0.13 Allowed Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.89 -46.99 0.18 Allowed Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.208 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -90.77 23.14 3.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.859 0.361 . . . . 0.0 111.16 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 58.02 24.91 11.65 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.023 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.559 ' HA3' ' SG ' ' A' ' 3' ' ' CYS . . . 75.02 -53.24 2.58 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 116.1 -0.5 . . . . 0.0 113.629 179.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.421 -179.811 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.449 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 36.2 t -64.79 -35.36 80.83 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.647 0.736 . . . . 0.0 109.398 178.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.56 ' HB3' ' HB1' ' A' ' 20' ' ' ALA . 84.7 m -59.44 -18.06 36.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.627 -1.17 . . . . 0.0 112.313 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.1 m -65.57 -23.63 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -87.26 128.74 54.2 Favored Pre-proline 0 N--CA 1.451 -0.383 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.87 -40.89 65.65 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 123.292 2.662 . . . . 0.0 113.187 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.6 t -64.42 -53.74 39.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 121.048 0.451 . . . . 0.0 110.533 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 24.7 t -60.61 -41.93 95.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.488 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 13.9 t-80 -61.96 -47.17 86.03 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.614 0.228 . . . . 0.0 111.614 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 10' ' ' LEU . 4.3 mm? -74.53 -48.45 26.93 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -178.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -61.39 -46.17 91.29 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.321 0.581 . . . . 0.0 110.845 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -102.25 46.93 0.91 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.91 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.7 m -59.42 -25.42 64.31 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.993 0.425 . . . . 0.0 110.798 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -64.48 -34.12 77.46 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.407 179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -93.56 -41.04 9.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.512 0.672 . . . . 0.0 109.823 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.6 m -83.25 42.18 0.8 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.422 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -79.11 135.54 15.68 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.398 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.86 -115.66 8.06 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 121.042 -0.599 . . . . 0.0 112.854 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.85 -33.04 70.0 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 122.539 0.336 . . . . 0.0 111.597 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' A' ' 3' ' ' CYS . . . 63.98 46.55 3.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.674 179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.79 130.02 12.55 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.488 -0.863 . . . . 0.0 111.396 179.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.751 -179.729 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.449 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.643 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 53.8 t -63.58 -43.11 97.93 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.01 -0.595 . . . . 0.0 110.3 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.414 ' SG ' ' HA3' ' A' ' 21' ' ' GLY . 68.0 m -60.47 -25.16 65.83 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.881 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.4 m -62.5 -34.69 77.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.274 0.559 . . . . 0.0 109.873 179.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -89.91 124.81 62.68 Favored Pre-proline 0 C--N 1.328 -0.37 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.954 178.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.79 -43.65 55.31 Favored 'Trans proline' 0 CA--C 1.527 0.147 0 C-N-CA 122.765 2.31 . . . . 0.0 112.519 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.4 t -64.78 -48.34 84.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.551 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.643 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.8 t -59.23 -45.65 90.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.547 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -59.59 -44.21 93.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.302 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.4 tp -72.45 -55.06 7.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.783 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -61.62 -49.84 74.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.444 0.64 . . . . 0.0 111.665 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -91.5 60.03 3.98 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.755 -179.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -56.14 -34.15 65.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.031 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -65.78 -43.57 88.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.018 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.824 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 94.5 mt -69.15 -46.61 67.18 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-O 121.144 0.497 . . . . 0.0 110.158 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.2 m -93.45 48.45 1.31 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.13 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -157.45 -42.64 0.02 OUTLIER Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.228 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -168.76 55.96 0.21 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.72 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.824 ' HB3' ' HA ' ' A' ' 15' ' ' LEU . . . -147.98 -78.48 0.15 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.874 0.337 . . . . 0.0 111.416 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -174.67 61.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.455 -179.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.414 ' HA3' ' SG ' ' A' ' 3' ' ' CYS . . . -78.08 44.95 2.45 Favored Glycine 0 CA--C 1.523 0.569 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.99 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.346 0 N-CA-C 112.248 -0.341 . . . . 0.0 112.248 179.666 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.408 0 N-CA-C 112.798 -0.121 . . . . 0.0 112.798 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.613 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 44.3 t -59.27 -44.74 92.42 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.037 0.446 . . . . 0.0 110.988 -179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.0 m -65.07 -31.93 73.39 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.146 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 m -65.83 -32.83 74.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.862 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -88.39 123.05 69.12 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.055 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -54.56 -40.74 82.47 Favored 'Trans proline' 0 CA--C 1.527 0.172 0 C-N-CA 122.981 2.454 . . . . 0.0 112.61 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 t -65.31 -51.79 60.32 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 CA-C-O 121.045 0.45 . . . . 0.0 110.626 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.613 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.5 t -61.48 -42.2 98.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.705 -179.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 -64.1 -45.99 86.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.485 0.183 . . . . 0.0 110.894 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.7 tp -69.1 -52.07 32.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.521 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -62.47 -48.33 80.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.391 0.615 . . . . 0.0 110.833 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 84.1 m-70 -98.89 49.34 0.96 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.857 -179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.0 m -61.03 -23.89 65.76 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.138 0.494 . . . . 0.0 110.511 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -66.76 -33.04 74.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.33 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 90.5 mt -91.44 -49.28 6.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.328 0.585 . . . . 0.0 110.661 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.8 m -95.83 50.44 1.2 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.628 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -57.49 -41.44 93.39 Favored Glycine 0 N--CA 1.452 -0.276 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.82 -122.53 5.09 Favored Glycine 0 N--CA 1.445 -0.726 0 N-CA-C 111.297 -0.721 . . . . 0.0 111.297 178.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.02 46.57 0.84 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.198 0.523 . . . . 0.0 110.143 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.75 33.23 4.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.828 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.65 121.69 3.53 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.754 -0.736 . . . . 0.0 111.563 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 121.398 -0.43 . . . . 0.0 112.629 -179.478 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.493 0 N-CA-C 113.692 0.237 . . . . 0.0 113.692 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.588 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 41.9 t -60.66 -47.8 84.62 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.804 0.335 . . . . 0.0 111.363 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.471 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 64.4 m -64.73 -28.75 69.8 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.444 -179.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.9 m -68.29 -30.6 69.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.12 0.486 . . . . 0.0 110.316 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -89.0 124.27 65.5 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.37 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.54 -42.22 70.03 Favored 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.965 2.443 . . . . 0.0 112.587 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.7 t -66.04 -51.77 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.937 0.399 . . . . 0.0 110.702 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.588 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.3 t -60.29 -41.97 94.49 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.614 -179.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -63.12 -43.71 97.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.091 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -71.49 -53.95 12.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.812 -178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.43 -50.73 72.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.416 0.627 . . . . 0.0 110.976 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 63.7 m-70 -96.87 48.19 1.06 Allowed 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.867 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -58.18 -35.17 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.681 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -62.62 -40.82 98.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.647 178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 91.0 mt -75.09 -46.41 34.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.302 0.573 . . . . 0.0 110.642 179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.8 m -87.28 40.36 0.92 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.029 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.16 -40.8 87.88 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -158.81 34.32 0.49 Allowed Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.024 -0.608 . . . . 0.0 111.901 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.471 ' HB3' ' SG ' ' A' ' 3' ' ' CYS . . . -79.2 -39.02 34.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.002 0.43 . . . . 0.0 110.635 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 59.61 32.14 21.37 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.053 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 170.83 -137.31 4.36 Favored Glycine 0 N--CA 1.448 -0.567 0 C-N-CA 120.263 -0.97 . . . . 0.0 112.57 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.345 0 C-N-CA 121.583 -0.342 . . . . 0.0 113.054 179.623 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.257 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.654 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 49.6 t -60.75 -39.32 88.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.654 0.74 . . . . 0.0 110.075 178.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.2 m -63.64 -29.8 70.99 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.931 -1.031 . . . . 0.0 111.894 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.8 m -64.6 -32.3 73.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 0.0 110.361 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 3.4 m120 -89.56 125.28 61.88 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.112 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 5' ' ' ASN . 11.9 Cg_endo -56.32 -43.35 56.7 Favored 'Trans proline' 0 CA--C 1.528 0.189 0 C-N-CA 122.843 2.362 . . . . 0.0 112.601 -179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.8 t -65.46 -50.2 73.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.967 0.413 . . . . 0.0 110.457 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.654 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.4 t -58.93 -44.0 91.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.662 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.7 t-80 -62.19 -45.37 93.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.985 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.2 tp -68.35 -52.03 37.77 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.459 -178.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.82 -48.55 76.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.326 0.584 . . . . 0.0 111.112 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.69 ' HB3' HD13 ' A' ' 15' ' ' LEU . 80.0 m-70 -98.14 50.54 1.02 Allowed 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.81 -179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -60.42 -27.19 67.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.914 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -67.15 -34.31 77.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.507 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.69 HD13 ' HB3' ' A' ' 12' ' ' HIS . 6.2 mp -79.68 -49.28 12.34 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.563 0.696 . . . . 0.0 109.399 178.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 61.9 m -90.12 45.23 1.25 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.557 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -154.43 40.19 0.65 Allowed Glycine 0 N--CA 1.446 -0.686 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 179.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -178.42 -111.44 0.3 Allowed Glycine 0 N--CA 1.443 -0.849 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -146.25 51.09 1.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.002 0.43 . . . . 0.0 110.663 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.36 47.65 0.68 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.769 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -171.24 148.11 10.89 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.594 -0.812 . . . . 0.0 112.188 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.718 179.782 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.327 0 CA-C-O 121.159 0.311 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 41.0 t -60.9 -34.31 74.47 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.484 0.659 . . . . 0.0 109.941 179.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.673 ' HB2' ' O ' ' A' ' 20' ' ' ALA . 68.8 m -58.1 -18.71 26.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.499 -179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 50.6 m -64.27 -21.24 66.52 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -87.88 130.87 45.04 Favored Pre-proline 0 N--CA 1.454 -0.257 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -53.05 -41.61 70.48 Favored 'Trans proline' 0 CA--C 1.528 0.198 0 C-N-CA 123.02 2.48 . . . . 0.0 113.073 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 t -65.93 -50.33 70.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.085 0.469 . . . . 0.0 110.977 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 11.4 t -62.29 -44.84 95.59 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.487 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.537 ' HA ' ' SG ' ' A' ' 16' ' ' CYS . 11.6 t-80 -61.79 -42.91 99.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.852 0.358 . . . . 0.0 111.167 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.3 tp -72.53 -53.2 12.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.182 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -64.94 -49.48 70.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.078 0.466 . . . . 0.0 111.107 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.453 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 78.3 m-70 -91.6 44.01 1.16 Allowed 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 178.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.32 -38.55 68.85 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.081 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 75.0 m-80 -66.87 -31.64 72.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.239 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 3.2 mm? -85.04 -31.93 23.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 109.975 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.537 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 90.6 m -87.12 46.38 1.37 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.954 -179.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.96 57.16 2.69 Favored Glycine 0 CA--C 1.52 0.368 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.903 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -175.45 -152.69 9.59 Favored Glycine 0 N--CA 1.443 -0.889 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.27 -77.85 0.41 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.076 0.465 . . . . 0.0 110.737 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.673 ' O ' ' HB2' ' A' ' 3' ' ' CYS . . . -81.35 -18.85 44.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.197 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.547 ' HA3' ' SG ' ' A' ' 3' ' ' CYS . . . 57.53 -133.55 52.65 Favored Glycine 0 C--N 1.319 -0.412 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.584 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.576 179.748 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.01 -0.436 . . . . 0.0 112.01 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.56 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 53.0 t -56.26 -45.7 79.96 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.166 0.507 . . . . 0.0 111.015 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.0 m -61.63 -31.23 71.3 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.765 -179.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -66.34 -29.92 70.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.07 0.462 . . . . 0.0 110.394 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -89.16 123.95 65.99 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.166 -0.47 . . . . 0.0 109.912 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -55.08 -42.62 67.19 Favored 'Trans proline' 0 C--O 1.23 0.122 0 C-N-CA 122.87 2.38 . . . . 0.0 112.66 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 t -65.76 -52.14 53.58 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.525 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.56 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 5.1 t -60.04 -42.69 94.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.908 -179.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -62.99 -45.98 89.86 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 121.214 -0.195 . . . . 0.0 110.963 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.6 tp -69.14 -52.08 31.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.817 0.341 . . . . 0.0 111.318 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -61.03 -40.5 93.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.455 0.645 . . . . 0.0 110.815 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -109.36 47.91 0.9 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.732 -179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 69.3 m -59.56 -30.03 68.34 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 121.142 0.496 . . . . 0.0 110.31 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -64.29 -39.76 94.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.82 178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.5 mt -80.42 -47.03 14.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.352 0.596 . . . . 0.0 110.328 179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.8 m -86.22 41.29 0.92 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.218 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.38 -46.79 67.51 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 171.08 36.57 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.609 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.463 179.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -167.24 45.55 0.05 Allowed 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.821 0.31 . . . . 0.0 111.195 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -160.67 42.44 0.18 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.017 0.437 . . . . 0.0 110.952 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -75.55 45.46 1.84 Allowed Glycine 0 CA--C 1.521 0.459 0 CA-C-N 116.016 -0.538 . . . . 0.0 113.339 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.437 0 C-N-CA 121.173 -0.537 . . . . 0.0 112.354 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.104 0 N-CA-C 113.236 0.054 . . . . 0.0 113.236 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.637 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 51.9 t -58.1 -48.39 80.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.168 0.509 . . . . 0.0 110.744 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.596 ' SG ' ' HA3' ' A' ' 21' ' ' GLY . 40.7 m -62.45 -28.99 70.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.807 -179.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.4 m -67.71 -30.26 69.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.057 0.456 . . . . 0.0 110.427 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 61.4 m-80 -88.47 125.36 63.68 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.117 179.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.22 -42.18 71.17 Favored 'Trans proline' 0 CA--C 1.527 0.145 0 C-N-CA 123.07 2.513 . . . . 0.0 112.721 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.1 t -65.73 -52.02 55.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.061 0.458 . . . . 0.0 110.65 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.637 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 3.9 t -60.94 -41.99 97.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.624 -179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -63.5 -44.26 94.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.635 0.255 . . . . 0.0 111.051 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.7 tp -71.42 -52.5 18.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.597 -178.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -61.9 -50.56 71.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.422 0.629 . . . . 0.0 110.861 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.44 ' HB3' HD23 ' A' ' 15' ' ' LEU . 68.3 m-70 -95.72 47.2 1.1 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.695 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.83 -34.62 69.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.089 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -63.11 -34.4 77.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.703 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.44 HD23 ' HB3' ' A' ' 12' ' ' HIS . 3.1 mm? -84.77 -43.34 14.33 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.257 0.551 . . . . 0.0 110.461 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.0 m -97.12 50.55 1.09 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.462 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.31 48.82 1.85 Allowed Glycine 0 CA--C 1.52 0.367 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.29 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.7 -134.41 3.27 Favored Glycine 0 N--CA 1.443 -0.851 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -149.14 46.32 0.99 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.177 0.513 . . . . 0.0 110.629 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -145.42 48.1 1.27 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.169 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.596 ' HA3' ' SG ' ' A' ' 3' ' ' CYS . . . -96.46 -126.59 5.22 Favored Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.411 -0.813 . . . . 0.0 112.739 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.692 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.282 -179.637 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.368 0 N-CA-C 113.939 0.335 . . . . 0.0 113.939 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 48.2 t -61.6 -35.14 76.99 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.495 0.664 . . . . 0.0 109.969 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.82 ' SG ' ' HA3' ' A' ' 21' ' ' GLY . 86.2 m -61.19 -12.94 14.64 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.68 -1.146 . . . . 0.0 112.804 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 45.0 m -66.87 -22.87 65.96 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 177.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -87.24 129.39 51.82 Favored Pre-proline 0 N--CA 1.453 -0.311 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.103 178.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_exo -52.48 -41.91 64.64 Favored 'Trans proline' 0 CA--C 1.528 0.176 0 C-N-CA 123.073 2.515 . . . . 0.0 113.121 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.9 t -63.79 -52.46 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.973 0.416 . . . . 0.0 110.604 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.9 t -60.9 -42.65 98.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.162 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.673 ' HA ' ' SG ' ' A' ' 16' ' ' CYS . 11.3 t-80 -62.95 -45.38 92.73 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 mp -73.93 -49.8 23.0 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -61.8 -51.13 69.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.419 0.628 . . . . 0.0 111.001 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 64.5 m-70 -97.45 43.86 1.06 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.833 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -54.36 -38.74 66.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.589 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.7 m-80 -64.29 -33.1 75.05 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.331 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.3 mt -87.21 -29.09 21.99 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.338 0.589 . . . . 0.0 110.636 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.673 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 61.9 m -80.41 41.31 0.53 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.308 -0.86 . . . . 0.0 112.742 -178.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -90.3 -149.63 22.58 Favored Glycine 0 N--CA 1.443 -0.844 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 60.38 -130.72 49.06 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.341 179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.63 -48.26 11.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.03 0.443 . . . . 0.0 111.049 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -167.88 41.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.935 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.82 ' HA3' ' SG ' ' A' ' 3' ' ' CYS . . . 66.9 -129.75 30.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.844 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.342 0 C-N-CA 120.503 -0.856 . . . . 0.0 113.707 -179.085 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.275 0 N-CA-C 113.208 0.043 . . . . 0.0 113.208 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.458 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 9.0 t -59.16 -39.82 83.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.137 0.494 . . . . 0.0 110.53 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.407 ' SG ' ' HA2' ' A' ' 21' ' ' GLY . 83.6 m -58.26 -22.98 54.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.501 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 m -68.12 -19.41 64.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.082 0.468 . . . . 0.0 110.334 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -88.52 129.14 50.27 Favored Pre-proline 0 C--N 1.326 -0.436 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.16 -40.7 80.81 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.925 2.417 . . . . 0.0 112.872 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.4 t -65.52 -52.91 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-O 120.961 0.41 . . . . 0.0 110.644 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 47.3 t -60.61 -42.78 97.49 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.216 -179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -63.31 -44.51 94.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.166 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.9 tp -70.64 -53.5 15.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.836 0.35 . . . . 0.0 111.408 -178.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -60.96 -50.62 72.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.463 0.649 . . . . 0.0 110.878 -179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.41 ' HB3' HD13 ' A' ' 15' ' ' LEU . 67.2 m-70 -96.96 43.91 1.06 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.903 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.1 t -58.05 -33.97 69.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.587 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 -65.59 -33.51 76.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.745 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD13 ' HB3' ' A' ' 12' ' ' HIS . 7.0 mp -81.44 -46.72 14.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.21 0.529 . . . . 0.0 109.97 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 73.1 m -85.71 36.37 0.65 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.54 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -93.54 42.71 2.54 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.286 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.62 -138.98 5.34 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.385 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.75 29.46 2.05 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.381 0.61 . . . . 0.0 110.579 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.62 31.76 1.16 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.474 -0.784 . . . . 0.0 109.917 179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.407 ' HA2' ' SG ' ' A' ' 3' ' ' CYS . . . -69.36 69.49 0.51 Allowed Glycine 0 CA--C 1.519 0.327 0 CA-C-N 114.899 -1.046 . . . . 0.0 113.376 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.476 0 N-CA-C 113.644 0.218 . . . . 0.0 113.644 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.627 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 43.7 t -59.44 -48.94 79.71 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.684 0.278 . . . . 0.0 111.484 -179.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.5 m -63.4 -29.14 70.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.607 -179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.4 m -69.66 -29.97 67.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.079 0.466 . . . . 0.0 110.592 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -88.52 125.99 61.56 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.529 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 48.8 Cg_exo -56.11 -44.24 48.77 Favored 'Trans proline' 0 CA--C 1.527 0.125 0 C-N-CA 122.785 2.323 . . . . 0.0 112.561 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.403 ' O ' ' HB3' ' A' ' 11' ' ' GLU . 3.3 t -63.89 -49.71 80.67 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-O 121.211 0.529 . . . . 0.0 110.677 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.627 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 2.8 t -62.95 -42.16 99.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.718 -179.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -63.58 -47.26 82.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.344 -179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.5 mt -67.49 -54.68 18.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.759 0.314 . . . . 0.0 111.466 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 3.7 tp10 -61.74 -50.4 72.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.857 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -96.46 48.16 1.08 Allowed 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.864 -0.335 . . . . 0.0 111.571 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.5 m -62.35 -27.6 69.17 Favored 'General case' 0 C--N 1.332 -0.167 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -64.25 -40.58 96.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.704 -1.134 . . . . 0.0 110.566 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 94.9 mt -80.65 -45.64 16.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.184 0.516 . . . . 0.0 110.184 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 2.7 m -84.94 39.37 0.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.039 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.54 -38.93 86.99 Favored Glycine 0 N--CA 1.45 -0.423 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 178.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -159.26 33.02 0.46 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.857 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.68 -37.55 41.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.036 0.446 . . . . 0.0 110.579 179.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 59.72 30.71 20.31 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.065 -0.97 . . . . 0.0 112.191 179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 167.23 -133.94 3.09 Favored Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.265 -0.969 . . . . 0.0 112.635 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.235 0 C-N-CA 121.477 -0.392 . . . . 0.0 113.092 179.773 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.432 0 N-CA-C 113.288 0.075 . . . . 0.0 113.288 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.64 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 48.8 t -54.85 -47.74 73.79 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 122.755 0.422 . . . . 0.0 111.48 -179.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.69 ' SG ' ' HA2' ' A' ' 21' ' ' GLY . 83.5 m -62.6 -26.51 68.64 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.167 -179.178 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.4 m -66.24 -33.5 75.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.157 0.503 . . . . 0.0 110.084 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.418 ' HA ' ' HD2' ' A' ' 6' ' ' PRO . 6.0 m120 -88.77 122.33 69.23 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.69 179.019 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 5' ' ' ASN . 9.4 Cg_endo -53.57 -40.79 77.8 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 123.003 2.469 . . . . 0.0 112.637 -179.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.7 t -65.07 -52.62 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-O 120.969 0.414 . . . . 0.0 110.446 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.64 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 4.7 t -59.18 -42.35 90.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.954 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -60.68 -47.15 87.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.81 -0.177 . . . . 0.0 111.196 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.7 mt -72.39 -50.27 27.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.825 0.345 . . . . 0.0 111.394 -179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -59.31 -39.88 84.45 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.515 0.674 . . . . 0.0 110.808 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -111.64 47.47 1.03 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.687 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.6 m -57.78 -28.58 64.12 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -63.66 -36.66 84.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.482 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.4 mt -84.66 -46.29 11.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.26 0.552 . . . . 0.0 110.08 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 m -82.5 41.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.024 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.43 -46.97 23.88 Favored Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 120.902 -0.666 . . . . 0.0 111.588 179.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.92 135.99 2.31 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.315 179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 59.1 40.43 21.96 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.091 0.472 . . . . 0.0 111.74 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -154.71 55.92 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.37 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.69 ' HA2' ' SG ' ' A' ' 3' ' ' CYS . . . -59.17 -64.19 4.49 Favored Glycine 0 C--N 1.331 0.305 0 CA-C-N 115.722 -0.672 . . . . 0.0 113.001 -179.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 0.517 0 N-CA-C 114.2 0.44 . . . . 0.0 114.2 179.306 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.167 -0.373 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.517 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 25.6 t -49.4 -43.29 44.27 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.386 0.613 . . . . 0.0 111.656 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.2 m -57.79 -26.51 62.03 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.926 -178.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.8 t -65.81 -29.96 70.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.934 0.397 . . . . 0.0 110.337 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -89.31 125.53 61.5 Favored Pre-proline 0 C--N 1.326 -0.434 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.54 -42.72 65.07 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.996 2.464 . . . . 0.0 112.38 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.1 t -66.1 -52.9 43.04 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.353 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.382 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.517 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 5.8 t -58.03 -42.22 84.84 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.175 -179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.4 t-80 -62.38 -46.81 86.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.45 0.166 . . . . 0.0 111.119 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.3 tp -71.77 -51.02 24.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.819 0.342 . . . . 0.0 111.262 -179.054 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.42 -38.14 79.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.939 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.401 ' HB3' HD23 ' A' ' 15' ' ' LEU . 81.5 m-70 -114.09 48.13 1.13 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.642 -179.43 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.2 m -57.73 -32.64 67.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.866 0.365 . . . . 0.0 110.839 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -62.7 -36.05 81.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.743 179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.401 HD23 ' HB3' ' A' ' 12' ' ' HIS . 3.1 mm? -86.13 -38.01 18.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.352 0.596 . . . . 0.0 110.184 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 1.7 m -96.49 51.16 1.17 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.176 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.93 47.51 1.9 Allowed Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 178.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.52 -128.25 1.7 Allowed Glycine 0 N--CA 1.442 -0.927 0 N-CA-C 110.465 -1.054 . . . . 0.0 110.465 -179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -151.2 45.51 0.81 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.874 0.369 . . . . 0.0 111.161 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -153.61 37.93 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.095 0.474 . . . . 0.0 110.986 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.64 46.56 3.67 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 121.193 -0.527 . . . . 0.0 113.127 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.275 0 N-CA-C 113.502 0.161 . . . . 0.0 113.502 179.6 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.275 0 N-CA-C 113.485 0.154 . . . . 0.0 113.485 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.6 t -69.83 -34.93 74.31 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.303 0.573 . . . . 0.0 110.097 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.4 m -60.52 -14.6 20.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.981 -1.008 . . . . 0.0 112.397 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.2 t -64.09 -25.32 68.05 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 177.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 -87.7 128.29 55.02 Favored Pre-proline 0 N--CA 1.454 -0.275 0 CA-C-N 115.316 -0.856 . . . . 0.0 109.275 178.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -53.01 -41.1 73.97 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.985 2.457 . . . . 0.0 113.031 -179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.0 t -63.84 -52.97 50.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.975 0.417 . . . . 0.0 110.516 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.9 t -60.93 -40.66 94.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.033 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.641 ' HA ' ' SG ' ' A' ' 16' ' ' CYS . 18.6 t-80 -60.76 -45.07 95.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.416 -179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 98.3 mt -76.62 -50.12 14.58 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.575 -178.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -60.41 -43.97 96.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.339 0.59 . . . . 0.0 111.171 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 74.8 m-70 -106.12 45.9 0.95 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.076 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.5 p -55.26 -32.63 62.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.962 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -58.95 -42.91 90.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.311 178.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -80.22 -40.31 27.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.075 0.464 . . . . 0.0 110.142 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.641 ' SG ' ' HA ' ' A' ' 9' ' ' HIS . 80.3 m -79.48 41.5 0.47 Allowed 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.328 -179.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.56 -45.31 0.17 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.351 179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.14 -39.52 31.89 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 121.01 -0.614 . . . . 0.0 113.398 -179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -99.16 -83.03 0.43 Allowed 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 117.16 0.48 . . . . 0.0 111.249 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 176.04 43.92 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.825 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.73 139.86 29.41 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.247 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.213 -0.994 . . . . 0.0 113.037 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.324 0 N-CA-C 111.992 -0.443 . . . . 0.0 111.992 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.8 t -75.0 -33.24 61.81 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.488 0.661 . . . . 0.0 109.296 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.2 m -58.47 -18.09 26.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.241 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.7 m -62.96 -25.13 68.22 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 178.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -87.62 128.35 54.94 Favored Pre-proline 0 N--CA 1.451 -0.406 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.23 178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -53.73 -39.09 84.91 Favored 'Trans proline' 0 CA--C 1.527 0.146 0 C-N-CA 123.147 2.565 . . . . 0.0 112.722 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.1 t -64.71 -53.47 41.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.942 0.401 . . . . 0.0 110.504 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.7 t -60.06 -41.67 92.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.224 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -58.28 -47.24 84.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.686 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 10' ' ' LEU . 4.2 mm? -79.17 -49.11 13.08 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.887 0.328 . . . . 0.0 111.887 -178.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -59.62 -35.0 73.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.305 0.574 . . . . 0.0 111.254 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -119.42 46.83 1.82 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.654 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.2 m -56.15 -36.2 68.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -62.74 -36.82 84.24 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.927 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -79.31 -37.55 37.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.172 0.51 . . . . 0.0 110.207 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 86.2 m -82.33 40.13 0.63 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.451 -0.795 . . . . 0.0 111.791 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.39 44.32 3.27 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.201 179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.92 -111.4 3.26 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.152 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 58.61 24.69 12.34 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 122.977 0.511 . . . . 0.0 111.97 179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . 58.21 36.29 25.64 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.76 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -156.49 139.75 6.74 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.898 179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.587 0 C-N-CA 119.89 -1.147 . . . . 0.0 113.201 -179.412 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.341 0 N-CA-C 113.656 0.222 . . . . 0.0 113.656 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 6.0 t -71.01 -34.75 71.63 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.15 0.5 . . . . 0.0 109.976 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.2 m -58.87 -23.56 61.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.378 -0.828 . . . . 0.0 112.13 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 25.6 m -62.77 -25.51 68.25 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.288 0.566 . . . . 0.0 110.132 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -88.04 125.44 64.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.603 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -54.64 -38.17 90.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 123.003 2.469 . . . . 0.0 112.422 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.9 t -64.95 -53.54 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.374 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 35.9 t -61.22 -39.45 90.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.198 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -58.35 -45.61 87.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.285 -179.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.2 mp -80.72 -50.68 9.58 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.598 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -58.1 -44.92 87.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.391 0.615 . . . . 0.0 111.066 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.465 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 89.4 m-70 -107.74 47.48 0.89 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.738 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 p -57.3 -33.98 68.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.455 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -68.21 -36.73 79.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.687 179.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.465 ' HB2' ' HB3' ' A' ' 12' ' ' HIS . 8.1 mp -74.1 -45.71 47.43 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.203 0.525 . . . . 0.0 110.111 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 67.7 m -88.23 34.19 0.74 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.079 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -96.4 132.35 11.0 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.983 179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 65.1 29.19 74.73 Favored Glycine 0 C--O 1.228 -0.26 0 C-N-CA 121.133 -0.556 . . . . 0.0 113.074 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 60.21 44.79 12.29 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.165 0.507 . . . . 0.0 111.441 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.28 25.37 1.4 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.349 0.595 . . . . 0.0 110.497 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.91 -145.0 6.5 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.621 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.397 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.872 179.401 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.306 0 N-CA-C 113.768 0.267 . . . . 0.0 113.768 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.544 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 16.9 t -62.09 -43.24 99.26 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.139 0.495 . . . . 0.0 110.03 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 m -57.75 -22.11 44.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.239 -0.891 . . . . 0.0 112.399 -179.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.5 m -71.5 -17.91 62.32 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.033 0.444 . . . . 0.0 110.528 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -87.36 131.63 43.59 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.033 -0.531 . . . . 0.0 109.745 179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.68 -41.85 52.43 Favored 'Trans proline' 0 CA--C 1.529 0.244 0 C-N-CA 123.193 2.595 . . . . 0.0 113.416 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 t -65.88 -55.66 18.41 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.328 0 CA-C-O 121.068 0.461 . . . . 0.0 110.614 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.544 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 21.4 t -60.73 -38.05 83.82 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.383 -179.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.49 ' HD2' ' O ' ' A' ' 16' ' ' CYS . 8.2 t-160 -61.25 -49.41 77.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.747 -179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 11.1 mp -79.04 -50.03 11.72 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -178.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -57.76 -26.79 62.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.308 0.575 . . . . 0.0 111.43 -179.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.5 m-70 -132.94 45.01 2.79 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 121.935 -0.478 . . . . 0.0 111.241 -178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.3 m -60.55 -25.86 66.48 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.983 0.421 . . . . 0.0 110.909 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.405 ' ND2' ' HG ' ' A' ' 15' ' ' LEU . 16.1 p-10 -63.16 -32.99 74.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.528 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.405 ' HG ' ' ND2' ' A' ' 14' ' ' ASN . 91.5 mt -108.33 -43.76 4.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.495 0.664 . . . . 0.0 110.722 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.49 ' O ' ' HD2' ' A' ' 9' ' ' HIS . 1.6 m -93.86 48.94 1.3 Allowed 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.201 -0.909 . . . . 0.0 112.248 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -58.46 -50.64 64.8 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 120.316 -0.945 . . . . 0.0 111.405 179.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -76.24 140.91 26.19 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 121.082 -0.58 . . . . 0.0 111.659 178.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.23 84.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.086 0.469 . . . . 0.0 111.577 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -101.56 32.73 3.22 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.451 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.33 -45.24 96.84 Favored Glycine 0 CA--C 1.519 0.287 0 CA-C-N 115.512 -0.767 . . . . 0.0 113.259 -179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.197 -1.001 . . . . 0.0 113.065 -179.665 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.489 0 N-CA-C 112.791 -0.123 . . . . 0.0 112.791 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.423 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 8.8 t -58.47 -38.82 78.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.922 0.392 . . . . 0.0 111.539 -179.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 m -59.46 -18.31 38.55 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -179.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 m -67.48 -24.62 65.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.222 0.534 . . . . 0.0 109.983 179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -87.05 127.31 59.91 Favored Pre-proline 0 N--CA 1.451 -0.384 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.428 179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.13 -40.0 60.45 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 123.296 2.664 . . . . 0.0 113.282 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.0 t -64.49 -55.97 18.65 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.374 0 CA-C-O 121.002 0.43 . . . . 0.0 110.424 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.423 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 48.6 t -60.63 -39.68 89.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.398 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.73 ' HD2' ' HB3' ' A' ' 16' ' ' CYS . 9.4 t-160 -60.39 -47.53 85.66 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.565 -179.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -79.72 -47.84 14.64 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -57.92 -44.09 86.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.389 0.614 . . . . 0.0 110.834 -179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -107.13 42.67 1.27 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.723 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.4 t -56.58 -30.41 63.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.801 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -60.15 -38.31 82.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.676 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.0 mp -91.37 -46.38 8.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.407 0.623 . . . . 0.0 110.099 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.73 ' HB3' ' HD2' ' A' ' 9' ' ' HIS . 68.3 m -81.88 37.48 0.48 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.323 -179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.98 -55.21 8.24 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.582 -0.818 . . . . 0.0 111.488 179.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 176.09 37.99 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.198 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -163.94 43.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.093 0.473 . . . . 0.0 110.498 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -160.39 53.07 0.32 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.514 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.39 50.83 2.1 Favored Glycine 0 C--O 1.226 -0.368 0 CA-C-N 116.079 -0.51 . . . . 0.0 113.102 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.417 0 C-N-CA 121.188 -0.53 . . . . 0.0 112.428 -179.944 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.256 0 CA-C-O 120.566 -0.019 . . . . 0.0 113.076 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.568 ' O ' ' HB3' ' A' ' 8' ' ' CYS . 46.2 t -52.65 -45.13 66.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.341 0.591 . . . . 0.0 111.194 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.419 ' SG ' ' HA2' ' A' ' 21' ' ' GLY . 16.2 m -58.98 -27.93 65.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.356 -0.838 . . . . 0.0 112.365 -179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.5 t -70.05 -28.97 65.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.881 0.372 . . . . 0.0 110.788 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -89.01 126.59 58.65 Favored Pre-proline 0 C--N 1.326 -0.448 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.28 -44.68 44.04 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.777 2.318 . . . . 0.0 112.526 -179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.3 t -63.89 -51.09 73.86 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 121.102 0.477 . . . . 0.0 110.428 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.568 ' HB3' ' O ' ' A' ' 2' ' ' CYS . 3.9 t -60.14 -40.78 91.0 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.949 -179.426 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 -62.88 -45.41 92.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.775 -0.193 . . . . 0.0 111.189 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 10' ' ' LEU . 4.2 mm? -73.71 -49.37 26.04 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.643 0.259 . . . . 0.0 111.626 -179.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -61.04 -43.38 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.529 0.68 . . . . 0.0 110.677 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.454 ' HB3' HD12 ' A' ' 15' ' ' LEU . 64.4 m-70 -106.54 46.98 0.9 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.503 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 p -57.49 -36.29 71.31 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.086 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -63.33 -30.59 71.7 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.059 179.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.454 HD12 ' HB3' ' A' ' 12' ' ' HIS . 92.2 mt -83.8 -52.95 5.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.056 0.455 . . . . 0.0 110.553 179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.7 m -89.89 44.05 1.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.547 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.66 -49.02 39.27 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.883 179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 179.57 136.74 2.76 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.923 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . 58.94 41.31 21.34 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.152 0.501 . . . . 0.0 111.431 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -148.11 49.71 1.04 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.476 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.419 ' HA2' ' SG ' ' A' ' 3' ' ' CYS . . . -70.84 124.99 12.38 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.357 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.518 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.25 -179.674 . . . . . . . . 0 0 . 1 stop_ save_