data_6ppc_residue ############################ # Computer software used # ############################ 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 6ppc _Structure_validation_residue.Date_analyzed 2019-08-09 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 ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.477 -0.249 . . . . 74.31 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -120.44 -169.72 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.928 0.394 . . . . 72.15 110.926 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.91 105.42 3.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 75.33 110.908 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.2 t -95.45 111.86 23.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.871 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 m -102.62 155.74 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 70.04 110.912 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -57.34 160.77 6.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 73.55 110.898 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.1 Cg_endo -69.78 -11.43 11.93 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 -1.799 . . . . 73.51 112.315 -0.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -52.81 173.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 72.55 110.911 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.91 149.19 39.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.865 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.3 t -98.56 92.42 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 72.02 110.854 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 mm -131.15 155.16 41.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 73.51 111.053 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 56.06 22.46 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.829 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.37 4.77 70.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 72.14 112.479 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.57 170.29 11.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 64.03 111.154 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.43 100.38 13.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 72.25 110.845 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.62 100.22 7.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.01 110.872 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -53.27 164.78 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.868 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 72.52 110.865 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.507 -0.237 . . . . 54.31 112.507 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -120.79 -169.76 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 75.41 110.882 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.79 108.6 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.856 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -98.3 111.98 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.93 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.5 m -102.58 155.46 18.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.14 110.885 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -57.32 160.77 6.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 75.15 110.893 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.4 Cg_endo -69.79 -11.42 11.96 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.649 -1.813 . . . . 74.22 112.36 0.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -52.61 172.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 64.15 110.845 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.41 148.97 40.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.33 110.849 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.7 t -98.36 92.39 5.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 71.41 110.893 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 mm -131.08 155.28 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 73.41 111.156 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 t70 55.97 22.44 5.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 75.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.37 4.68 69.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 73.54 112.534 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.0 t -124.35 170.49 10.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 73.34 111.121 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.57 100.26 13.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.859 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.54 99.24 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 71.24 110.912 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -52.06 167.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.859 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.909 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.567 -0.213 . . . . 71.41 112.567 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -126.65 -169.88 2.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 74.42 110.903 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -146.31 127.03 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 75.02 110.872 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -113.86 113.02 24.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 71.51 110.862 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.5 m -103.37 154.15 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.35 110.833 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.499 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -56.95 160.79 5.53 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.657 0.742 . . . . 74.41 110.891 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.78 -11.16 11.85 Favored 'Cis proline' 0 C--N 1.342 0.23 0 C-N-CA 122.646 -1.814 . . . . 73.41 112.347 -0.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -52.27 172.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.85 149.16 41.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 64.43 110.834 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.8 t -98.67 92.35 5.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 73.51 110.872 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 mm -130.85 155.05 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 71.4 111.153 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 56.1 22.37 5.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 73.42 110.856 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.59 4.67 71.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 72.31 112.493 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.5 t -124.53 169.75 11.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 71.44 111.183 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.01 100.35 13.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 74.12 110.928 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -79.5 99.73 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.895 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -53.38 164.76 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 71.03 110.884 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.904 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.489 -0.245 . . . . 62.21 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -121.27 -169.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 64.43 110.9 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 t -148.45 112.61 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.14 110.842 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -102.5 112.48 25.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 74.44 110.869 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.2 m -103.1 155.33 18.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 72.43 110.906 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 6.0 mt-10 -57.17 160.78 6.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.66 0.743 . . . . 72.34 110.888 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.8 Cg_endo -69.78 -11.32 11.9 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 -1.795 . . . . 65.12 112.299 0.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -52.73 173.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 75.35 110.939 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.82 149.29 40.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.863 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.7 t -98.48 92.53 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 62.44 110.862 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 mm -131.31 155.2 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 75.12 111.163 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t0 56.0 22.54 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 64.13 110.921 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.1 5.05 69.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.797 -0.716 . . . . 73.33 112.505 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.65 170.27 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 73.15 111.147 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.41 100.32 13.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 72.13 110.862 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.59 99.17 7.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.862 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.96 168.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 70.3 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 63.13 110.889 -179.881 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.519 -0.233 . . . . 63.42 112.519 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -120.36 -169.71 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 73.35 110.865 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -149.13 105.74 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 64.22 110.909 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.48 112.14 23.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 73.51 110.904 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.3 m -102.96 155.51 18.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 75.25 110.896 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 16.1 mt-10 -57.12 160.69 6.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 63.34 110.906 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.75 -11.26 11.82 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 -1.809 . . . . 71.21 112.327 -0.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -53.0 173.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.892 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -142.37 149.48 39.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 74.12 110.853 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.5 t -98.66 92.33 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 70.4 110.868 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.4 mm -131.09 155.17 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 74.43 111.145 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.7 t70 56.06 22.43 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.846 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.35 4.75 70.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 45.45 112.506 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.7 t -124.43 170.45 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 73.42 111.148 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -90.65 100.34 13.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 62.44 110.837 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -79.58 99.87 7.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 73.31 110.845 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.94 168.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.866 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.879 -179.9 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.465 -0.254 . . . . 54.1 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -119.82 -169.75 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.92 0.39 . . . . 72.41 110.877 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.11 105.35 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 64.44 110.86 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.4 112.2 23.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 73.42 110.848 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 m -102.86 155.82 18.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 70.34 110.904 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 18.8 mt-10 -57.41 160.77 6.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 75.4 110.898 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.9 Cg_endo -69.75 -11.44 11.88 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.645 -1.815 . . . . 73.3 112.39 0.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -52.81 173.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.889 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -142.16 149.21 39.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 70.12 110.886 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.0 t -98.35 92.63 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 74.02 110.858 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 mm -131.5 155.34 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 75.42 111.139 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.8 t70 55.9 22.61 5.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 70.33 110.858 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.1 5.0 69.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.719 -0.753 . . . . 64.44 112.464 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.59 170.54 10.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 73.31 111.162 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -90.59 100.27 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.31 110.914 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -79.61 98.66 7.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.24 110.844 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -52.88 168.24 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.866 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 64.35 110.827 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.465 -0.254 . . . . 53.15 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -118.79 -169.59 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 75.31 110.883 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -149.34 106.18 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 73.42 110.877 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.1 t -96.44 112.1 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 70.25 110.873 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 m -102.71 155.79 18.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 71.11 110.899 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.493 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -57.4 160.81 6.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.669 0.747 . . . . 72.25 110.892 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.75 -11.43 11.87 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.657 -1.809 . . . . 61.02 112.336 0.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -52.78 173.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.925 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.9 149.25 39.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 73.31 110.849 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.0 t -98.4 92.6 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.937 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 mm -131.54 155.27 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 75.4 111.132 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t0 56.0 22.64 5.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 62.11 110.881 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.97 5.08 69.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 71.34 112.517 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.68 170.47 10.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 63.31 111.172 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.59 100.32 13.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 64.04 110.87 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -79.66 99.0 7.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 75.43 110.834 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -55.14 166.07 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.55 110.866 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 62.21 110.918 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.497 -0.241 . . . . 74.23 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -124.21 -169.92 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 74.34 110.88 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -147.0 122.02 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.915 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -108.95 111.95 23.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.87 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.3 m -101.94 154.07 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.85 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.493 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 14.8 mt-10 -57.1 160.83 5.79 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.661 0.743 . . . . 73.22 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.3 Cg_endo -69.84 -11.21 11.99 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 -1.789 . . . . 64.53 112.316 0.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -52.21 172.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 75.22 110.91 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.93 149.61 42.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 71.04 110.859 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.1 t -98.74 92.47 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 74.13 110.894 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 mm -131.14 155.23 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 63.04 111.117 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t70 56.05 22.38 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 63.31 110.862 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.56 4.52 70.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.722 -0.751 . . . . 61.2 112.479 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.5 t -124.2 170.42 10.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 75.45 111.155 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.8 t -90.58 100.31 13.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 61.32 110.921 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -79.68 97.81 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.823 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.81 168.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.02 110.883 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 62.01 110.885 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.526 -0.23 . . . . 62.12 112.526 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -121.05 -169.56 1.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 72.12 110.844 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.43 115.34 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 65.34 110.881 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 t -104.98 113.18 26.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 60.33 110.891 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.2 m -103.47 154.36 19.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 62.31 110.874 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 15.8 mt-10 -56.85 160.66 5.57 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.658 0.742 . . . . 74.15 110.843 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.5 Cg_endo -69.8 -11.27 11.93 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.718 -1.784 . . . . 63.21 112.297 0.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -52.41 172.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.889 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.13 149.41 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 73.41 110.825 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.9 t -98.65 92.51 5.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 75.22 110.878 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 mm -131.3 155.31 41.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 74.41 111.149 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 56.06 22.42 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.45 110.843 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.33 4.71 69.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 44.24 112.473 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.0 t -124.36 170.76 10.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 62.34 111.182 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.7 t -90.8 100.26 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 75.34 110.91 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.58 98.41 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 75.43 110.889 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.9 168.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 75.34 110.842 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 71.41 110.886 -179.899 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.448 -0.261 . . . . 54.43 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -127.97 -169.87 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 71.04 110.921 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 t -146.03 129.13 16.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 70.24 110.826 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -115.73 112.53 22.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 64.51 110.92 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.9 m -102.87 153.91 19.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 64.45 110.907 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -56.88 160.77 5.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.731 . . . . 72.12 110.907 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.8 Cg_endo -69.78 -11.18 11.86 Favored 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.671 -1.804 . . . . 75.5 112.329 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -52.18 172.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.833 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.92 149.35 41.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.885 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 t -98.69 92.29 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 31.2 110.851 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 mm -130.9 155.12 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 75.41 111.111 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 56.08 22.29 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 72.3 110.903 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.63 4.74 71.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 52.2 112.468 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.62 169.86 11.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 54.31 111.14 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -90.13 100.34 13.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 53.34 110.884 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -79.51 99.51 7.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 72.2 110.845 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -53.27 165.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 71.04 110.881 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.922 -179.917 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.487 -0.245 . . . . 74.12 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -131.03 178.99 6.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 74.31 110.853 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -147.68 117.64 7.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.844 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -105.78 113.2 26.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 74.53 110.868 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -102.86 154.39 19.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 72.52 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -57.36 160.95 6.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.667 0.746 . . . . 70.42 110.913 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.3 Cg_endo -69.81 -11.22 11.94 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 -1.804 . . . . 74.53 112.304 0.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -52.13 172.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 73.44 110.915 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.37 149.38 42.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 73.42 110.849 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.2 t -98.65 92.46 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 73.15 110.876 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 mm -131.26 155.21 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 72.41 111.125 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.2 t0 55.95 22.58 5.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 63.31 110.852 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.17 4.99 69.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 52.24 112.525 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.63 170.29 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 73.2 111.167 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.39 100.39 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.855 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -79.66 99.1 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 62.43 110.834 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -52.06 165.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 55.13 110.878 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.445 . . . . 64.31 110.884 -179.912 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.502 -0.239 . . . . 64.12 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -131.24 179.07 6.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.936 0.398 . . . . 54.25 110.889 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -147.95 117.54 7.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 64.2 110.882 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -105.79 113.53 27.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.23 110.898 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.3 m -103.3 154.5 19.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.817 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.489 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.1 mt-10 -57.3 160.93 6.09 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.646 0.736 . . . . 74.04 110.894 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.6 Cg_endo -69.79 -11.18 11.89 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 -1.792 . . . . 71.42 112.338 0.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -52.17 172.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 63.5 110.859 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.43 149.25 42.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 53.54 110.899 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.0 t -98.52 92.48 5.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 63.21 110.867 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.4 mm -131.28 155.28 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.43 111.11 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 56.01 22.44 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 74.21 110.881 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.18 4.98 69.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 74.13 112.491 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.5 170.51 10.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 74.11 111.14 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.59 100.37 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 65.31 110.856 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.69 98.48 6.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.853 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -52.0 167.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 65.32 110.867 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.853 -179.866 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.493 -0.243 . . . . 54.52 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -132.18 173.44 11.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.917 0.389 . . . . 65.21 110.915 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.44 119.86 12.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 64.11 110.867 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -107.66 114.01 27.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 60.24 110.9 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -103.93 154.94 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 71.23 110.862 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -57.37 160.88 6.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.619 0.723 . . . . 74.52 110.869 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.7 Cg_endo -69.7 -11.38 11.76 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.72 -1.783 . . . . 70.41 112.328 -0.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -52.21 172.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 72.02 110.892 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.61 149.26 42.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 71.54 110.814 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.9 t -98.36 92.67 5.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 75.12 110.909 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 mm -131.68 155.36 41.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 75.23 111.134 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.6 t0 55.91 22.71 5.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 74.01 110.832 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.77 5.4 69.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.49 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.91 170.67 10.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.334 . . . . 73.42 111.132 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.61 100.35 13.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 73.44 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -79.8 97.8 6.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 75.01 110.851 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.93 168.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.844 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 72.35 110.895 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.523 -0.231 . . . . 62.23 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -118.59 -169.57 1.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 70.4 110.879 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -149.74 110.08 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 62.44 110.849 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.5 t -99.92 115.72 30.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 75.23 110.891 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.4 m -108.56 152.6 24.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 52.42 110.897 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.7 pt-20 -53.83 158.3 3.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.723 . . . . 71.1 110.895 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.75 -12.04 12.06 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.64 -1.817 . . . . 75.43 112.398 -0.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -52.47 172.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 73.4 110.878 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -142.43 149.53 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.88 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.1 t -99.0 92.29 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 64.43 110.89 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.4 mm -130.46 155.2 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.13 111.129 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 t0 56.11 22.13 5.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 71.03 110.832 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.33 3.35 70.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 73.42 112.513 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.7 t -123.3 170.35 10.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 72.51 111.148 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.7 t -90.71 100.32 13.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 74.33 110.868 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -79.56 99.84 7.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 75.33 110.834 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -52.23 168.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 61.23 110.824 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 74.21 110.892 -179.925 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.458 -0.257 . . . . 70.4 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -117.78 -169.62 1.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 72.12 110.866 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -149.65 110.23 4.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.877 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 t -100.42 115.28 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 64.42 110.846 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.1 m -107.96 152.32 24.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 63.23 110.869 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.8 pt-20 -53.84 158.39 3.38 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.663 0.744 . . . . 71.14 110.886 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.5 Cg_endo -69.75 -12.16 12.09 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 -1.792 . . . . 71.24 112.324 0.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -52.25 172.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 63.35 110.901 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -142.29 149.77 39.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.835 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.4 t -99.1 92.36 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 72.15 110.904 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.6 mm -130.61 155.03 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 73.42 111.084 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t0 56.24 22.09 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.83 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.36 3.25 70.22 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 74.34 112.468 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 t -123.2 170.06 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 74.32 111.144 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.8 t -90.48 100.33 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 72.31 110.862 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.5 99.57 7.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.843 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.67 168.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 75.11 110.845 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 73.44 110.891 -179.933 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.89 0.376 . . . . 74.33 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.86 166.83 15.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 60.22 110.884 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 t -96.99 -67.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 35.22 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.32 -164.88 12.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 73.04 112.535 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -62.11 95.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 55.33 110.811 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 63.42 30.25 15.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 73.1 110.904 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 m -107.45 160.63 15.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.892 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mtt -132.75 154.14 81.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.703 . . . . 72.21 110.87 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 118.52 5.73 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.729 2.286 . . . . 71.42 112.361 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.48 83.09 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 71.04 110.865 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.59 63.87 4.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 74.32 112.489 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.66 13.01 74.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 74.31 112.477 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -120.44 -169.72 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.928 0.394 . . . . 72.15 110.926 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.91 105.42 3.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 75.33 110.908 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.2 t -95.45 111.86 23.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.871 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 m -102.62 155.74 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 70.04 110.912 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -57.34 160.77 6.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 73.55 110.898 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.1 Cg_endo -69.78 -11.43 11.93 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 -1.799 . . . . 73.51 112.315 -0.019 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -52.81 173.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 72.55 110.911 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.91 149.19 39.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.865 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.3 t -98.56 92.42 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 72.02 110.854 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 mm -131.15 155.16 41.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 73.51 111.053 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 56.06 22.46 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.829 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.37 4.77 70.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 72.14 112.479 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.57 170.29 11.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 64.03 111.154 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.43 100.38 13.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 72.25 110.845 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.62 100.22 7.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 74.01 110.872 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -53.27 164.78 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.868 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -129.74 121.75 27.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 72.52 110.865 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.4 t -92.6 177.83 5.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 74.04 110.855 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.1 t -141.42 73.18 25.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.681 0.753 . . . . 75.14 110.826 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 109.83 2.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 72.35 112.35 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.893 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.873 0.368 . . . . 72.32 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.56 125.18 22.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 74.03 110.883 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 t -62.14 -67.65 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 60.25 110.876 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.88 -165.65 14.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.734 . . . . 74.34 112.47 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -62.02 95.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 73.41 110.856 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.58 31.21 14.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 75.3 110.865 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 m -108.89 159.84 16.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 70.44 110.84 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.1 mmm -132.02 154.15 81.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.546 0.689 . . . . 74.35 110.886 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 119.16 6.15 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.688 2.259 . . . . 74.45 112.32 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.61 82.44 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 74.35 110.866 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.87 64.66 3.76 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.717 -0.754 . . . . 73.54 112.517 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.22 12.47 72.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 54.31 112.507 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -120.79 -169.76 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 75.41 110.882 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.79 108.6 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.856 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -98.3 111.98 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.93 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.5 m -102.58 155.46 18.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.14 110.885 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -57.32 160.77 6.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 75.15 110.893 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.495 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.4 Cg_endo -69.79 -11.42 11.96 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.649 -1.813 . . . . 74.22 112.36 0.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -52.61 172.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 64.15 110.845 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.41 148.97 40.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.33 110.849 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.7 t -98.36 92.39 5.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 71.41 110.893 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 mm -131.08 155.28 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 73.41 111.156 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 t70 55.97 22.44 5.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 75.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.37 4.68 69.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 73.54 112.534 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.0 t -124.35 170.49 10.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 73.34 111.121 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.57 100.26 13.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.859 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.54 99.24 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 71.24 110.912 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -52.06 167.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.859 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -141.29 119.62 12.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.909 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.0 t -125.72 85.61 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.842 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.6 t -132.4 71.74 78.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.641 0.734 . . . . 75.53 110.853 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 174.45 9.43 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.249 . . . . 73.5 112.353 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.7 t30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.905 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.888 0.375 . . . . 73.34 110.853 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -113.59 158.97 20.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.824 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 t -100.12 -64.47 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.901 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.9 -165.82 23.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 73.41 112.489 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 m -62.34 94.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 72.12 110.899 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.61 28.23 15.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 61.01 110.889 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 m -105.48 160.47 15.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 72.32 110.901 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.0 mtt -133.19 154.23 81.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.702 . . . . 74.34 110.914 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 121.05 7.74 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.652 2.235 . . . . 64.41 112.305 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.85 82.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 64.12 110.887 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.94 71.25 0.69 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.765 -0.731 . . . . 71.3 112.472 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.84 12.67 57.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 71.41 112.567 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -126.65 -169.88 2.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 74.42 110.903 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -146.31 127.03 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 75.02 110.872 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -113.86 113.02 24.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 71.51 110.862 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.5 m -103.37 154.15 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 74.35 110.833 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -56.95 160.79 5.53 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.657 0.742 . . . . 74.41 110.891 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.78 -11.16 11.85 Favored 'Cis proline' 0 C--N 1.342 0.23 0 C-N-CA 122.646 -1.814 . . . . 73.41 112.347 -0.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -52.27 172.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.85 149.16 41.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 64.43 110.834 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.8 t -98.67 92.35 5.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 73.51 110.872 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 mm -130.85 155.05 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 71.4 111.153 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 56.1 22.37 5.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 73.42 110.856 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.59 4.67 71.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 72.31 112.493 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.5 t -124.53 169.75 11.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 71.44 111.183 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.01 100.35 13.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 74.12 110.928 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -79.5 99.73 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 74.51 110.895 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -53.38 164.76 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 71.03 110.884 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -140.7 157.93 44.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.904 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -89.82 149.32 22.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 74.12 110.851 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.0 t -127.46 72.78 77.75 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.677 0.751 . . . . 64.23 110.888 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 101.02 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 71.44 112.334 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 71.11 110.861 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.864 0.364 . . . . 71.52 110.923 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -110.53 176.04 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 74.4 110.866 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 t -111.91 -68.33 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.1 110.91 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.71 -163.4 11.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 63.14 112.453 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -62.33 94.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.39 . . . . 65.34 110.835 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 63.47 28.36 15.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 61.32 110.892 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 m -105.2 160.16 15.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mtt -132.27 154.01 81.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 74.1 110.89 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 119.91 6.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.702 2.268 . . . . 62.33 112.345 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.71 82.46 1.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 73.31 110.853 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.85 64.87 3.59 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 42.33 112.458 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.14 12.29 71.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 62.21 112.489 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -121.27 -169.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 64.43 110.9 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 t -148.45 112.61 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.14 110.842 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -102.5 112.48 25.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 74.44 110.869 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.2 m -103.1 155.33 18.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 72.43 110.906 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 6.0 mt-10 -57.17 160.78 6.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.66 0.743 . . . . 72.34 110.888 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.8 Cg_endo -69.78 -11.32 11.9 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 -1.795 . . . . 65.12 112.299 0.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -52.73 173.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 75.35 110.939 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.82 149.29 40.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.863 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 39.7 t -98.48 92.53 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 62.44 110.862 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 mm -131.31 155.2 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 75.12 111.163 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t0 56.0 22.54 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 64.13 110.921 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.1 5.05 69.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.797 -0.716 . . . . 73.33 112.505 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.65 170.27 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 73.15 111.147 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.41 100.32 13.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 72.13 110.862 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.59 99.17 7.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.862 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.96 168.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 70.3 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -141.29 172.82 12.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 63.13 110.889 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.9 p -143.86 153.04 41.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 63.34 110.922 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -140.87 68.97 29.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.723 0.773 . . . . 75.33 110.879 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -17.09 37.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 75.3 112.364 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.5 p30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 74.24 110.877 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.873 0.368 . . . . 74.14 110.852 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -94.07 116.54 28.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 74.12 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 t -91.38 -63.9 1.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.928 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.64 -166.58 22.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 70.41 112.47 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 m -62.21 95.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 75.12 110.877 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 t70 63.4 28.75 15.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 71.21 110.882 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 m -105.43 160.23 15.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 73.3 110.902 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 mtt -131.99 154.14 81.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 74.41 110.826 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 118.75 5.87 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.717 2.278 . . . . 74.14 112.36 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.55 82.94 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 73.2 110.852 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.53 63.9 4.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 75.11 112.463 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.8 12.76 74.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 63.42 112.519 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -120.36 -169.71 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 73.35 110.865 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -149.13 105.74 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 64.22 110.909 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.48 112.14 23.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 73.51 110.904 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.3 m -102.96 155.51 18.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 75.25 110.896 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.481 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 16.1 mt-10 -57.12 160.69 6.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 63.34 110.906 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.481 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.75 -11.26 11.82 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 -1.809 . . . . 71.21 112.327 -0.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -53.0 173.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.892 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -142.37 149.48 39.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 74.12 110.853 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.5 t -98.66 92.33 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 70.4 110.868 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.4 mm -131.09 155.17 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 74.43 111.145 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.7 t70 56.06 22.43 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 74.1 110.846 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.35 4.75 70.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 45.45 112.506 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.7 t -124.43 170.45 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 73.42 111.148 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -90.65 100.34 13.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 62.44 110.837 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -79.58 99.87 7.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 73.31 110.845 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.94 168.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.866 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -137.88 160.53 39.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.879 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.2 p -114.31 -50.98 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 71.32 110.86 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.04 160.52 66.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.675 0.75 . . . . 73.33 110.833 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 103.84 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.645 2.23 . . . . 65.22 112.336 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 70.44 110.904 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.841 0.353 . . . . 74.34 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -120.1 161.26 21.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 65.54 110.831 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 t -60.18 -67.84 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 75.54 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.36 -165.25 13.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 72.4 112.49 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -62.02 95.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 73.24 110.838 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.51 30.67 15.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 75.12 110.827 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 m -108.0 160.7 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 51.03 110.899 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.6 mtt -132.74 154.25 81.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.583 0.706 . . . . 74.02 110.875 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 118.63 5.8 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.689 2.26 . . . . 74.35 112.317 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.71 83.05 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 52.35 110.889 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.68 63.77 4.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.771 -0.728 . . . . 72.54 112.47 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.66 12.59 74.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.731 . . . . 54.1 112.465 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -119.82 -169.75 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.92 0.39 . . . . 72.41 110.877 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.11 105.35 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 64.44 110.86 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.4 112.2 23.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 73.42 110.848 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 m -102.86 155.82 18.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 70.34 110.904 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 18.8 mt-10 -57.41 160.77 6.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 75.4 110.898 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.9 Cg_endo -69.75 -11.44 11.88 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.645 -1.815 . . . . 73.3 112.39 0.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -52.81 173.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.889 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -142.16 149.21 39.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 70.12 110.886 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.0 t -98.35 92.63 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 74.02 110.858 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 mm -131.5 155.34 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 75.42 111.139 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.8 t70 55.9 22.61 5.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 70.33 110.858 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.1 5.0 69.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.719 -0.753 . . . . 64.44 112.464 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.59 170.54 10.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 73.31 111.162 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -90.59 100.27 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.31 110.914 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -79.61 98.66 7.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.24 110.844 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -52.88 168.24 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 74.14 110.866 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -138.03 151.7 48.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 64.35 110.827 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.6 p -104.12 120.67 41.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 55.25 110.872 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -119.41 160.55 41.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.669 0.747 . . . . 74.41 110.904 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 98.67 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.248 . . . . 73.33 112.336 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.6 m120 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 74.52 110.914 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.854 0.359 . . . . 72.53 110.874 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -86.0 -178.43 6.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 64.11 110.893 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.7 t -110.17 -68.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 74.24 110.901 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.92 -164.07 11.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 71.35 112.523 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -62.15 95.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.378 . . . . 63.12 110.856 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 63.53 30.04 15.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 65.24 110.92 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 m -107.33 160.64 15.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 73.03 110.9 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.2 mtt -132.49 154.17 81.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.551 0.691 . . . . 64.4 110.857 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 118.7 5.84 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.665 2.243 . . . . 71.23 112.346 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.63 82.61 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 60.24 110.869 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.79 63.78 4.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 60.51 112.445 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.97 11.52 74.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 53.15 112.465 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -118.79 -169.59 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 75.31 110.883 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -149.34 106.18 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 73.42 110.877 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.1 t -96.44 112.1 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 70.25 110.873 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 m -102.71 155.79 18.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 71.11 110.899 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.493 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -57.4 160.81 6.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.669 0.747 . . . . 72.25 110.892 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.75 -11.43 11.87 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.657 -1.809 . . . . 61.02 112.336 0.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -52.78 173.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.925 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.9 149.25 39.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 73.31 110.849 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.0 t -98.4 92.6 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.937 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 mm -131.54 155.27 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 75.4 111.132 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t0 56.0 22.64 5.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 62.11 110.881 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.97 5.08 69.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 71.34 112.517 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.68 170.47 10.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 63.31 111.172 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.59 100.32 13.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 64.04 110.87 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -79.66 99.0 7.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 75.43 110.834 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -55.14 166.07 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.55 110.866 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -132.58 129.07 38.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 62.21 110.918 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.0 m -101.03 -74.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 71.45 110.881 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -131.64 160.53 67.02 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.651 0.739 . . . . 72.42 110.845 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -17.26 37.99 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 73.22 112.344 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 73.35 110.864 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.846 0.355 . . . . 74.2 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -108.79 155.59 20.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 64.02 110.831 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t -64.98 -66.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 70.03 110.856 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.68 -165.65 17.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.73 -0.748 . . . . 53.14 112.483 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.7 p -62.24 95.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 54.53 110.857 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 63.48 28.26 15.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 71.42 110.851 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.2 m -105.21 159.81 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 73.1 110.908 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.9 mtt -132.95 154.15 81.27 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.559 0.695 . . . . 71.05 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 120.51 7.27 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.266 . . . . 72.45 112.33 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.82 82.29 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 65.34 110.877 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.16 69.3 1.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 62.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.8 11.39 60.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 74.23 112.497 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -124.21 -169.92 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 74.34 110.88 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -147.0 122.02 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 72.34 110.915 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -108.95 111.95 23.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 72.33 110.87 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.3 m -101.94 154.07 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.85 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.493 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 14.8 mt-10 -57.1 160.83 5.79 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.661 0.743 . . . . 73.22 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.3 Cg_endo -69.84 -11.21 11.99 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 -1.789 . . . . 64.53 112.316 0.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -52.21 172.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 75.22 110.91 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.93 149.61 42.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 71.04 110.859 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 32.1 t -98.74 92.47 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 74.13 110.894 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 mm -131.14 155.23 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 63.04 111.117 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t70 56.05 22.38 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 63.31 110.862 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.56 4.52 70.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.722 -0.751 . . . . 61.2 112.479 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.5 t -124.2 170.42 10.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 75.45 111.155 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.8 t -90.58 100.31 13.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 61.32 110.921 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -79.68 97.81 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.22 110.823 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.81 168.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.02 110.883 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -132.69 121.08 22.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 62.01 110.885 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.8 t -156.94 145.51 19.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 73.3 110.791 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -111.94 160.62 29.18 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.703 0.764 . . . . 74.11 110.865 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 86.44 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.678 2.252 . . . . 71.43 112.309 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 72.22 110.894 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.814 0.34 . . . . 71.22 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -111.91 156.09 22.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 64.35 110.888 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.9 t -88.04 -64.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 65.43 110.805 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.79 -166.25 21.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 72.24 112.488 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 t -62.09 95.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.874 0.368 . . . . 75.42 110.867 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t0 63.46 27.47 15.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 74.3 110.878 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 m -103.96 158.94 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 73.43 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.0 mmm -130.86 154.22 81.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.532 0.682 . . . . 71.33 110.903 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 120.88 7.6 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.682 2.254 . . . . 71.11 112.37 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.03 82.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 75.4 110.874 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.45 64.62 3.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 73.42 112.517 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.96 11.21 74.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 62.12 112.526 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -121.05 -169.56 1.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 72.12 110.844 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.43 115.34 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 65.34 110.881 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 t -104.98 113.18 26.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 60.33 110.891 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.2 m -103.47 154.36 19.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 62.31 110.874 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 15.8 mt-10 -56.85 160.66 5.57 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.658 0.742 . . . . 74.15 110.843 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.494 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.5 Cg_endo -69.8 -11.27 11.93 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.718 -1.784 . . . . 63.21 112.297 0.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -52.41 172.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.44 110.889 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.13 149.41 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 73.41 110.825 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.9 t -98.65 92.51 5.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 75.22 110.878 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 mm -131.3 155.31 41.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 74.41 111.149 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 56.06 22.42 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.45 110.843 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.33 4.71 69.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 44.24 112.473 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.0 t -124.36 170.76 10.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 62.34 111.182 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.7 t -90.8 100.26 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 75.34 110.91 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.58 98.41 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 75.43 110.889 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.9 168.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 75.34 110.842 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -143.49 133.66 24.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 71.41 110.886 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 p -107.32 159.19 16.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 71.53 110.865 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.32 160.57 25.6 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.747 . . . . 74.11 110.871 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 175.43 8.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.24 . . . . 75.02 112.374 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 p30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 71.02 110.885 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.855 0.36 . . . . 72.21 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -92.77 155.08 17.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.854 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.27 -66.48 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 72.2 110.909 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.89 -164.89 14.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 64.05 112.488 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -62.37 94.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.889 0.376 . . . . 75.12 110.837 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 63.42 26.91 15.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 74.13 110.886 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.2 m -103.49 160.06 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 72.24 110.869 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.8 mtt -133.12 154.04 81.07 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.589 0.709 . . . . 73.23 110.871 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 121.31 8.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.732 2.288 . . . . 71.24 112.324 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.35 82.83 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 74.32 110.89 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.88 72.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 75.32 112.476 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.56 13.76 56.1 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.752 -0.737 . . . . 54.43 112.448 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -127.97 -169.87 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 71.04 110.921 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 t -146.03 129.13 16.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 70.24 110.826 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -115.73 112.53 22.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 64.51 110.92 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.9 m -102.87 153.91 19.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 64.45 110.907 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -56.88 160.77 5.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.731 . . . . 72.12 110.907 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.8 Cg_endo -69.78 -11.18 11.86 Favored 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.671 -1.804 . . . . 75.5 112.329 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -52.18 172.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.833 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.92 149.35 41.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.34 110.885 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.6 t -98.69 92.29 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 31.2 110.851 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 mm -130.9 155.12 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 75.41 111.111 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 56.08 22.29 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 72.3 110.903 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.63 4.74 71.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 52.2 112.468 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.62 169.86 11.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 54.31 111.14 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -90.13 100.34 13.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 53.34 110.884 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -79.51 99.51 7.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 72.2 110.845 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -53.27 165.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 71.04 110.881 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -137.7 158.67 43.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.922 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -154.86 125.92 7.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.01 110.822 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.97 160.65 66.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.673 0.749 . . . . 53.25 110.868 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 169.08 19.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 75.13 112.339 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 64.55 110.857 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.842 0.353 . . . . 72.5 110.901 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -86.2 167.77 14.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 71.44 110.912 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.4 t -97.36 -64.14 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 55.24 110.851 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.44 -165.75 21.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 75.22 112.473 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 m -62.37 94.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 72.34 110.812 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t0 63.64 27.33 14.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 75.13 110.824 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 m -104.3 161.02 14.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 65.52 110.902 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mtt -130.11 152.99 81.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.593 0.711 . . . . 64.32 110.861 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 131.22 20.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 74.44 112.37 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.0 m -133.18 62.84 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.866 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 55.49 81.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 73.23 112.443 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.53 13.59 55.61 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 74.12 112.487 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -131.03 178.99 6.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 74.31 110.853 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -147.68 117.64 7.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 73.43 110.844 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -105.78 113.2 26.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 74.53 110.868 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -102.86 154.39 19.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 72.52 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -57.36 160.95 6.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.667 0.746 . . . . 70.42 110.913 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.3 Cg_endo -69.81 -11.22 11.94 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 -1.804 . . . . 74.53 112.304 0.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -52.13 172.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 73.44 110.915 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.37 149.38 42.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 73.42 110.849 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.2 t -98.65 92.46 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 73.15 110.876 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 mm -131.26 155.21 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 72.41 111.125 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.2 t0 55.95 22.58 5.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 63.31 110.852 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.17 4.99 69.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 52.24 112.525 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.63 170.29 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 73.2 111.167 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.39 100.39 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.855 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -79.66 99.1 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 62.43 110.834 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -52.06 165.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 55.13 110.878 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -145.33 168.59 20.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.445 . . . . 64.31 110.884 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.0 m -132.03 65.05 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 73.11 110.847 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.8 m -151.58 70.17 8.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.699 0.761 . . . . 75.1 110.827 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 145.23 56.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.244 . . . . 64.13 112.332 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.6 t30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.912 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.883 0.373 . . . . 75.14 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -77.85 150.09 34.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 74.51 110.821 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 t -114.88 -65.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.9 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.31 -164.79 16.88 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.743 -0.742 . . . . 62.15 112.463 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -62.43 94.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 65.01 110.857 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 63.77 26.15 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 m -103.44 162.37 13.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 61.3 110.823 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.3 mmt -130.77 152.88 81.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.516 0.674 . . . . 70.45 110.919 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 131.21 20.8 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.716 2.277 . . . . 73.31 112.349 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.7 m -133.16 62.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 73.44 110.85 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 55.45 81.22 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 72.2 112.46 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.59 13.61 55.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 64.12 112.502 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -131.24 179.07 6.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.936 0.398 . . . . 54.25 110.889 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -147.95 117.54 7.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 64.2 110.882 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -105.79 113.53 27.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.23 110.898 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.3 m -103.3 154.5 19.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.817 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.489 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.1 mt-10 -57.3 160.93 6.09 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.646 0.736 . . . . 74.04 110.894 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.6 Cg_endo -69.79 -11.18 11.89 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 -1.792 . . . . 71.42 112.338 0.011 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -52.17 172.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 63.5 110.859 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.43 149.25 42.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 53.54 110.899 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.0 t -98.52 92.48 5.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 63.21 110.867 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.4 mm -131.28 155.28 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.43 111.11 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 56.01 22.44 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 74.21 110.881 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.18 4.98 69.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 74.13 112.491 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.5 170.51 10.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 74.11 111.14 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.59 100.37 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 65.31 110.856 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.69 98.48 6.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.853 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -52.0 167.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 65.32 110.867 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -146.49 127.32 14.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.853 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -87.88 -30.15 20.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 73.2 110.844 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.6 t 54.07 73.11 0.96 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 74.43 110.913 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -28.17 25.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.634 2.223 . . . . 73.42 112.344 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 72.02 110.893 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.861 0.362 . . . . 73.12 110.813 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -93.83 160.34 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 73.24 110.857 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 t -100.33 -64.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 74.4 110.898 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.95 -166.14 23.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 61.33 112.494 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 p -62.31 95.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 61.32 110.839 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 63.52 27.63 15.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.868 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 m -104.33 161.08 14.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 71.54 110.826 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 mtt -130.71 153.03 81.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.562 0.696 . . . . 64.51 110.868 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 130.73 19.81 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 74.44 112.296 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.9 m -132.77 65.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.902 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.71 80.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 52.25 112.484 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.41 13.81 55.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 54.52 112.493 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -132.18 173.44 11.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.917 0.389 . . . . 65.21 110.915 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.44 119.86 12.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 64.11 110.867 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -107.66 114.01 27.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 60.24 110.9 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -103.93 154.94 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 71.23 110.862 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.475 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -57.37 160.88 6.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.619 0.723 . . . . 74.52 110.869 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.475 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.7 Cg_endo -69.7 -11.38 11.76 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.72 -1.783 . . . . 70.41 112.328 -0.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -52.21 172.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 72.02 110.892 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.61 149.26 42.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 71.54 110.814 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.9 t -98.36 92.67 5.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 75.12 110.909 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 mm -131.68 155.36 41.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 75.23 111.134 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.6 t0 55.91 22.71 5.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 74.01 110.832 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.77 5.4 69.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.49 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.91 170.67 10.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.334 . . . . 73.42 111.132 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.61 100.35 13.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 73.44 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -79.8 97.8 6.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 75.01 110.851 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.93 168.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.844 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -144.79 118.15 9.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 72.35 110.895 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.9 p -115.5 51.89 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.889 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 p -177.49 160.61 1.39 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.691 0.757 . . . . 72.34 110.892 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -32.13 18.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.707 2.271 . . . . 74.55 112.31 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.1 t30 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 75.24 110.91 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.863 0.363 . . . . 64.54 110.862 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -63.59 177.15 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 75.45 110.87 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.8 t -64.24 -65.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 65.44 110.861 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.63 -163.91 13.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 70.41 112.5 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 m -62.45 94.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 71.43 110.839 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.88 26.31 14.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.841 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 m -103.45 164.06 11.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 44.42 110.857 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.2 mtt -133.25 154.51 81.13 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.604 0.716 . . . . 75.13 110.864 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 120.33 7.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.672 2.248 . . . . 74.32 112.36 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.49 81.5 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.863 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.42 64.33 3.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 63.22 112.5 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.13 10.79 74.29 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 62.23 112.523 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -118.59 -169.57 1.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 70.4 110.879 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -149.74 110.08 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 62.44 110.849 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.5 t -99.92 115.72 30.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 75.23 110.891 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.4 m -108.56 152.6 24.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 52.42 110.897 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.7 pt-20 -53.83 158.3 3.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.723 . . . . 71.1 110.895 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.75 -12.04 12.06 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.64 -1.817 . . . . 75.43 112.398 -0.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -52.47 172.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 73.4 110.878 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -142.43 149.53 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 72.21 110.88 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.1 t -99.0 92.29 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 64.43 110.89 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.4 mm -130.46 155.2 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.13 111.129 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 t0 56.11 22.13 5.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 71.03 110.832 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.33 3.35 70.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 73.42 112.513 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.7 t -123.3 170.35 10.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 72.51 111.148 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.7 t -90.71 100.32 13.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 74.33 110.868 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -79.56 99.84 7.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 75.33 110.834 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -52.23 168.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 61.23 110.824 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -147.58 164.56 33.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 74.21 110.892 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.8 p -157.8 162.57 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 73.15 110.874 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.09 160.58 31.78 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.649 0.738 . . . . 74.24 110.807 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.48 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.694 2.263 . . . . 75.43 112.332 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.855 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.857 0.361 . . . . 54.02 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -67.68 150.29 48.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 73.44 110.816 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 t -104.49 -68.07 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 72.54 110.867 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.88 -165.09 13.02 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 45.11 112.516 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -61.88 94.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 72.54 110.892 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 63.68 32.43 13.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 71.41 110.852 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 m -110.4 163.4 13.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 73.24 110.898 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mtp -133.24 154.48 81.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.542 0.687 . . . . 71.03 110.894 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 120.92 7.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.732 2.288 . . . . 72.43 112.333 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -123.76 82.18 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.04 110.881 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.71 63.72 4.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 53.22 112.48 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.97 10.56 73.1 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.771 -0.728 . . . . 70.4 112.458 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -117.78 -169.62 1.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 72.12 110.866 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -149.65 110.23 4.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.877 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 t -100.42 115.28 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 64.42 110.846 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.1 m -107.96 152.32 24.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 63.23 110.869 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.492 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.8 pt-20 -53.84 158.39 3.38 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.663 0.744 . . . . 71.14 110.886 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.5 Cg_endo -69.75 -12.16 12.09 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 -1.792 . . . . 71.24 112.324 0.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -52.25 172.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 63.35 110.901 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -142.29 149.77 39.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 75.41 110.835 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 49.4 t -99.1 92.36 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 72.15 110.904 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.6 mm -130.61 155.03 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 73.42 111.084 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t0 56.24 22.09 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.3 110.83 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.36 3.25 70.22 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 74.34 112.468 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 t -123.2 170.06 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 74.32 111.144 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.8 t -90.48 100.33 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 72.31 110.862 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.5 99.57 7.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.843 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.67 168.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 75.11 110.845 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -142.95 119.11 10.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 73.44 110.891 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.4 p -134.74 177.38 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 64.43 110.834 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.04 160.6 0.12 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.713 0.768 . . . . 70.01 110.855 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 155.8 65.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.745 2.297 . . . . 75.34 112.313 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 73.31 110.892 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.477 -0.249 . . . . 74.31 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -120.44 -169.72 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.928 0.394 . . . . 63.32 110.926 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.91 105.42 3.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 31.22 110.908 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.2 t -95.45 111.86 23.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.871 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 m -102.62 155.74 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 70.04 110.912 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -57.34 160.77 6.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 73.55 110.898 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.1 Cg_endo -69.78 -11.43 11.93 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 -1.799 . . . . 71.32 112.315 -0.019 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -52.81 173.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 72.55 110.911 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.91 149.19 39.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.865 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.463 ' O ' HD13 ' A' ' 22' ' ' ILE . 47.3 t -98.56 92.42 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 64.14 110.854 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.5 mm -131.15 155.16 41.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 62.14 111.053 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 56.06 22.46 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.829 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.37 4.77 70.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 72.14 112.479 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.57 170.29 11.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 55.44 111.154 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.43 100.38 13.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 72.25 110.845 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.62 100.22 7.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 64.3 110.872 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -53.27 164.78 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.868 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 72.52 110.865 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.507 -0.237 . . . . 54.31 112.507 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -120.79 -169.76 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 74.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.79 108.6 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.856 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -98.3 111.98 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.93 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.5 m -102.58 155.46 18.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 72.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.504 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -57.32 160.77 6.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 75.15 110.893 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.4 Cg_endo -69.79 -11.42 11.96 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.649 -1.813 . . . . 74.22 112.36 0.02 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -52.61 172.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 64.15 110.845 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.41 148.97 40.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.33 110.849 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.459 ' O ' HD13 ' A' ' 22' ' ' ILE . 41.7 t -98.36 92.39 5.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 70.42 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.459 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.08 155.28 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 64.43 111.156 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 t70 55.97 22.44 5.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 75.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.37 4.68 69.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 73.54 112.534 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.0 t -124.35 170.49 10.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 72.53 111.121 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.57 100.26 13.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.859 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.54 99.24 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 65.22 110.912 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -52.06 167.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.859 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.909 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.567 -0.213 . . . . 71.41 112.567 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -126.65 -169.88 2.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 74.42 110.903 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -146.31 127.03 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 71.23 110.872 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -113.86 113.02 24.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 71.51 110.862 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.5 m -103.37 154.15 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.24 110.833 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -56.95 160.79 5.53 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.657 0.742 . . . . 74.34 110.891 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.78 -11.16 11.85 Favored 'Cis proline' 0 C--N 1.342 0.23 0 C-N-CA 122.646 -1.814 . . . . 71.31 112.347 -0.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -52.27 172.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.85 149.16 41.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 60.05 110.834 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.45 ' O ' HD13 ' A' ' 22' ' ' ILE . 27.8 t -98.67 92.35 5.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 73.45 110.872 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -130.85 155.05 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 53.3 111.153 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 56.1 22.37 5.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 73.42 110.856 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.59 4.67 71.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 62.5 112.493 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.5 t -124.53 169.75 11.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 71.44 111.183 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.01 100.35 13.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 74.11 110.928 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -79.5 99.73 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 64.33 110.895 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -53.38 164.76 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 71.03 110.884 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.904 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.489 -0.245 . . . . 34.15 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -121.27 -169.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 63.2 110.9 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 t -148.45 112.61 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.14 110.842 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -102.5 112.48 25.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 74.44 110.869 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.2 m -103.1 155.33 18.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 71.22 110.906 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 6.0 mt-10 -57.17 160.78 6.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.66 0.743 . . . . 72.34 110.888 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.8 Cg_endo -69.78 -11.32 11.9 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 -1.795 . . . . 62.14 112.299 0.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -52.73 173.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 75.35 110.939 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.82 149.29 40.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.863 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.463 ' O ' HD13 ' A' ' 22' ' ' ILE . 39.7 t -98.48 92.53 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 62.44 110.862 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.31 155.2 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 75.12 111.163 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t0 56.0 22.54 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 64.13 110.921 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.1 5.05 69.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.797 -0.716 . . . . 45.02 112.505 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.65 170.27 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 73.15 111.147 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.41 100.32 13.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 72.13 110.862 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.59 99.17 7.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.862 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.96 168.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 62.25 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 63.13 110.889 -179.881 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.519 -0.233 . . . . 62.43 112.519 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -120.36 -169.71 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 72.02 110.865 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -149.13 105.74 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 64.22 110.909 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.48 112.14 23.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 44.31 110.904 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.3 m -102.96 155.51 18.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 64.12 110.896 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 16.1 mt-10 -57.12 160.69 6.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 63.34 110.906 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.75 -11.26 11.82 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 -1.809 . . . . 54.53 112.327 -0.037 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -53.0 173.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.892 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -142.37 149.48 39.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 55.3 110.853 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' O ' HD13 ' A' ' 22' ' ' ILE . 42.5 t -98.66 92.33 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 70.4 110.868 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.466 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.4 mm -131.09 155.17 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 64.44 111.145 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.7 t70 56.06 22.43 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 62.21 110.846 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.35 4.75 70.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 30.23 112.506 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.7 t -124.43 170.45 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 73.42 111.148 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -90.65 100.34 13.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 62.44 110.837 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -79.58 99.87 7.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 73.31 110.845 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.94 168.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.866 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.879 -179.9 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.465 -0.254 . . . . 54.1 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -119.82 -169.75 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.92 0.39 . . . . 72.41 110.877 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.11 105.35 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 64.44 110.86 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.4 112.2 23.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 33.32 110.848 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 m -102.86 155.82 18.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 55.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 18.8 mt-10 -57.41 160.77 6.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 75.4 110.898 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.9 Cg_endo -69.75 -11.44 11.88 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.645 -1.815 . . . . 62.34 112.39 0.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -52.81 173.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.889 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -142.16 149.21 39.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 70.12 110.886 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.484 ' O ' HD13 ' A' ' 22' ' ' ILE . 47.0 t -98.35 92.63 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 74.02 110.858 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.5 155.34 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 75.42 111.139 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.8 t70 55.9 22.61 5.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 64.11 110.858 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.1 5.0 69.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.719 -0.753 . . . . 64.44 112.464 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.59 170.54 10.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 63.21 111.162 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -90.59 100.27 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.31 110.914 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -79.61 98.66 7.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 62.11 110.844 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.88 168.24 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 40.13 110.866 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 64.35 110.827 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.465 -0.254 . . . . 44.05 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -118.79 -169.59 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 75.31 110.883 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -149.34 106.18 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 52.12 110.877 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.1 t -96.44 112.1 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 63.12 110.873 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 m -102.71 155.79 18.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 52.23 110.899 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -57.4 160.81 6.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.669 0.747 . . . . 72.25 110.892 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.75 -11.43 11.87 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.657 -1.809 . . . . 61.02 112.336 0.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -52.78 173.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.925 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.9 149.25 39.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 73.31 110.849 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.481 ' O ' HD13 ' A' ' 22' ' ' ILE . 47.0 t -98.4 92.6 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 72.23 110.937 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.481 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.54 155.27 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 75.11 111.132 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t0 56.0 22.64 5.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 54.05 110.881 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.97 5.08 69.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 71.22 112.517 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.68 170.47 10.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 63.31 111.172 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.59 100.32 13.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 64.04 110.87 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -79.66 99.0 7.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 75.43 110.834 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -55.14 166.07 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.55 110.866 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 61.42 110.918 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.497 -0.241 . . . . 74.23 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -124.21 -169.92 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 74.34 110.88 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -147.0 122.02 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 51.22 110.915 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -108.95 111.95 23.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 63.12 110.87 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.3 m -101.94 154.07 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.85 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 14.8 mt-10 -57.1 160.83 5.79 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.661 0.743 . . . . 73.22 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.3 Cg_endo -69.84 -11.21 11.99 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 -1.789 . . . . 64.53 112.316 0.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -52.21 172.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 75.22 110.91 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.93 149.61 42.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 71.04 110.859 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.458 ' O ' HD13 ' A' ' 22' ' ' ILE . 32.1 t -98.74 92.47 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 63.33 110.894 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.458 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.14 155.23 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 61.44 111.117 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t70 56.05 22.38 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 63.31 110.862 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.56 4.52 70.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.722 -0.751 . . . . 61.2 112.479 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.5 t -124.2 170.42 10.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 75.45 111.155 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.8 t -90.58 100.31 13.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 61.32 110.921 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -79.68 97.81 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 63.44 110.823 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 168.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 63.11 110.883 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 62.01 110.885 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.526 -0.23 . . . . 44.21 112.526 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -121.05 -169.56 1.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 72.12 110.844 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.43 115.34 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 63.34 110.881 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 t -104.98 113.18 26.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 45.41 110.891 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.2 m -103.47 154.36 19.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 34.54 110.874 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 15.8 mt-10 -56.85 160.66 5.57 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.658 0.742 . . . . 74.15 110.843 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.5 Cg_endo -69.8 -11.27 11.93 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.718 -1.784 . . . . 52.42 112.297 0.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -52.41 172.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 71.21 110.889 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.13 149.41 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 53.03 110.825 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.467 ' O ' HD13 ' A' ' 22' ' ' ILE . 38.9 t -98.65 92.51 5.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 75.22 110.878 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.3 155.31 41.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 74.41 111.149 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 56.06 22.42 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.45 110.843 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.33 4.71 69.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 15.41 112.473 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.0 t -124.36 170.76 10.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 55.53 111.182 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.7 t -90.8 100.26 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 73.05 110.91 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.58 98.41 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 75.43 110.889 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.9 168.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.842 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 71.41 110.886 -179.899 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.448 -0.261 . . . . 51.55 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -127.97 -169.87 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 61.23 110.921 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 t -146.03 129.13 16.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 70.24 110.826 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -115.73 112.53 22.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 64.51 110.92 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.9 m -102.87 153.91 19.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 64.45 110.907 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -56.88 160.77 5.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.731 . . . . 72.12 110.907 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.8 Cg_endo -69.78 -11.18 11.86 Favored 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.671 -1.804 . . . . 62.12 112.329 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -52.18 172.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.833 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.92 149.35 41.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 64.44 110.885 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.447 ' O ' HD13 ' A' ' 22' ' ' ILE . 30.6 t -98.69 92.29 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 31.2 110.851 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.447 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.5 mm -130.9 155.12 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 73.41 111.111 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 56.08 22.29 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 53.41 110.903 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.63 4.74 71.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 52.2 112.468 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.62 169.86 11.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 54.31 111.14 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -90.13 100.34 13.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 51.43 110.884 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -79.51 99.51 7.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 72.2 110.845 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -53.27 165.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 63.14 110.881 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.922 -179.917 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.487 -0.245 . . . . 32.44 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -131.03 178.99 6.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 74.31 110.853 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -147.68 117.64 7.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 53.4 110.844 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -105.78 113.2 26.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 74.04 110.868 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -102.86 154.39 19.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 72.52 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -57.36 160.95 6.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.667 0.746 . . . . 64.24 110.913 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.3 Cg_endo -69.81 -11.22 11.94 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 -1.804 . . . . 71.12 112.304 0.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -52.13 172.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 73.44 110.915 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.37 149.38 42.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 71.4 110.849 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.458 ' O ' HD13 ' A' ' 22' ' ' ILE . 37.2 t -98.65 92.46 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 73.15 110.876 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.458 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.26 155.21 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.41 111.125 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.2 t0 55.95 22.58 5.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 63.31 110.852 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.17 4.99 69.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 51.22 112.525 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.63 170.29 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 72.11 111.167 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.39 100.39 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.855 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -79.66 99.1 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 62.14 110.834 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -52.06 165.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 55.13 110.878 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.445 . . . . 62.02 110.884 -179.912 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.502 -0.239 . . . . 64.12 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -131.24 179.07 6.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.936 0.398 . . . . 54.25 110.889 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -147.95 117.54 7.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 63.44 110.882 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -105.79 113.53 27.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.23 110.898 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.3 m -103.3 154.5 19.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.817 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.1 mt-10 -57.3 160.93 6.09 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.646 0.736 . . . . 54.04 110.894 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.6 Cg_endo -69.79 -11.18 11.89 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 -1.792 . . . . 71.42 112.338 0.011 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -52.17 172.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 63.5 110.859 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.43 149.25 42.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 53.54 110.899 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.467 ' O ' HD13 ' A' ' 22' ' ' ILE . 37.0 t -98.52 92.48 5.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 63.21 110.867 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.4 mm -131.28 155.28 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.32 111.11 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 56.01 22.44 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 71.32 110.881 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.18 4.98 69.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 41.4 112.491 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.5 170.51 10.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 72.4 111.14 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.59 100.37 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 63.34 110.856 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.69 98.48 6.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.853 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -52.0 167.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 62.41 110.867 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.853 -179.866 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.493 -0.243 . . . . 54.52 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -132.18 173.44 11.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.917 0.389 . . . . 65.21 110.915 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.44 119.86 12.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 64.11 110.867 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -107.66 114.01 27.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 60.24 110.9 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -103.93 154.94 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 71.23 110.862 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -57.37 160.88 6.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.619 0.723 . . . . 74.22 110.869 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.7 Cg_endo -69.7 -11.38 11.76 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.72 -1.783 . . . . 70.41 112.328 -0.034 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -52.21 172.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 64.41 110.892 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.61 149.26 42.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 54.21 110.814 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.489 ' O ' HD13 ' A' ' 22' ' ' ILE . 37.9 t -98.36 92.67 5.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 70.42 110.909 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.68 155.36 41.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.21 111.134 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.6 t0 55.91 22.71 5.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 74.01 110.832 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.77 5.4 69.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.49 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.91 170.67 10.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.334 . . . . 73.42 111.132 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.61 100.35 13.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 73.44 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -79.8 97.8 6.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 75.01 110.851 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 168.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.844 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 53.53 110.895 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.523 -0.231 . . . . 43.42 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -118.59 -169.57 1.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 70.4 110.879 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -149.74 110.08 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 62.44 110.849 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.5 t -99.92 115.72 30.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 53.12 110.891 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.4 m -108.56 152.6 24.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 43.35 110.897 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.7 pt-20 -53.83 158.3 3.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.723 . . . . 71.1 110.895 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.75 -12.04 12.06 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.64 -1.817 . . . . 75.43 112.398 -0.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -52.47 172.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 55.35 110.878 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -142.43 149.53 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 61.51 110.88 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.426 ' O ' HD13 ' A' ' 22' ' ' ILE . 38.1 t -99.0 92.29 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 64.43 110.89 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.426 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.4 mm -130.46 155.2 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.13 111.129 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 t0 56.11 22.13 5.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 54.32 110.832 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.33 3.35 70.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 73.42 112.513 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.7 t -123.3 170.35 10.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 71.33 111.148 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.7 t -90.71 100.32 13.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 72.52 110.868 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -79.56 99.84 7.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 75.33 110.834 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.23 168.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 61.23 110.824 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 74.21 110.892 -179.925 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.458 -0.257 . . . . 63.25 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -117.78 -169.62 1.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 72.12 110.866 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -149.65 110.23 4.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.877 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 t -100.42 115.28 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 64.42 110.846 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.1 m -107.96 152.32 24.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 33.04 110.869 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.504 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.8 pt-20 -53.84 158.39 3.38 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.663 0.744 . . . . 71.14 110.886 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.5 Cg_endo -69.75 -12.16 12.09 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 -1.792 . . . . 70.51 112.324 0.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -52.25 172.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 63.35 110.901 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -142.29 149.77 39.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 40.24 110.835 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.427 ' O ' HD13 ' A' ' 22' ' ' ILE . 49.4 t -99.1 92.36 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 72.15 110.904 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.427 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.6 mm -130.61 155.03 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 73.42 111.084 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t0 56.24 22.09 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 71.21 110.83 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.36 3.25 70.22 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 74.34 112.468 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 t -123.2 170.06 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 74.32 111.144 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.8 t -90.48 100.33 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 65.14 110.862 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.5 99.57 7.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.843 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.67 168.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.15 110.845 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 44.44 110.891 -179.933 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.89 0.376 . . . . 74.33 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.86 166.83 15.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 54.41 110.884 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 t -96.99 -67.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 32.42 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.32 -164.88 12.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 51.23 112.535 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -62.11 95.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 55.33 110.811 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 63.42 30.25 15.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 71.32 110.904 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 m -107.45 160.63 15.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.892 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mtt -132.75 154.14 81.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.703 . . . . 72.21 110.87 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 118.52 5.73 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.729 2.286 . . . . 53.52 112.361 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.48 83.09 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 71.04 110.865 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.59 63.87 4.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 32.54 112.489 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.66 13.01 74.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 74.31 112.477 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -120.44 -169.72 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.928 0.394 . . . . 63.32 110.926 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.91 105.42 3.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 31.22 110.908 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.2 t -95.45 111.86 23.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.871 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 m -102.62 155.74 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 70.04 110.912 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -57.34 160.77 6.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 73.55 110.898 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.1 Cg_endo -69.78 -11.43 11.93 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 -1.799 . . . . 71.32 112.315 -0.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -52.81 173.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 72.55 110.911 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.91 149.19 39.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.865 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.463 ' O ' HD13 ' A' ' 22' ' ' ILE . 47.3 t -98.56 92.42 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 64.14 110.854 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.5 mm -131.15 155.16 41.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 62.14 111.053 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 56.06 22.46 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.829 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.37 4.77 70.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 72.14 112.479 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.57 170.29 11.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 55.44 111.154 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.43 100.38 13.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 72.25 110.845 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.62 100.22 7.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 64.3 110.872 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -53.27 164.78 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.868 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -129.74 121.75 27.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 72.52 110.865 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.4 t -92.6 177.83 5.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 51.01 110.855 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.1 t -141.42 73.18 25.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.681 0.753 . . . . 75.14 110.826 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 109.83 2.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 72.35 112.35 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.893 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.873 0.368 . . . . 70.12 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.56 125.18 22.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 74.03 110.883 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 t -62.14 -67.65 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 60.25 110.876 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.88 -165.65 14.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.734 . . . . 24.45 112.47 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -62.02 95.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 73.41 110.856 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.58 31.21 14.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 75.3 110.865 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 m -108.89 159.84 16.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 70.44 110.84 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.1 mmm -132.02 154.15 81.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.546 0.689 . . . . 74.35 110.886 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 119.16 6.15 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.688 2.259 . . . . 74.45 112.32 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.61 82.44 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 74.35 110.866 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.87 64.66 3.76 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.717 -0.754 . . . . 73.54 112.517 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.22 12.47 72.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 54.31 112.507 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -120.79 -169.76 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 74.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.79 108.6 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.856 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -98.3 111.98 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.93 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.5 m -102.58 155.46 18.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 72.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.504 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -57.32 160.77 6.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 75.15 110.893 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.4 Cg_endo -69.79 -11.42 11.96 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.649 -1.813 . . . . 74.22 112.36 0.02 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -52.61 172.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 64.15 110.845 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.41 148.97 40.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.33 110.849 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.459 ' O ' HD13 ' A' ' 22' ' ' ILE . 41.7 t -98.36 92.39 5.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 70.42 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.459 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.08 155.28 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 64.43 111.156 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 t70 55.97 22.44 5.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 75.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.37 4.68 69.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 73.54 112.534 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.0 t -124.35 170.49 10.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 72.53 111.121 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.57 100.26 13.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.859 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.54 99.24 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 65.22 110.912 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -52.06 167.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.859 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -141.29 119.62 12.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.909 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.0 t -125.72 85.61 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.842 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.6 t -132.4 71.74 78.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.641 0.734 . . . . 62.24 110.853 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 174.45 9.43 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.249 . . . . 71.24 112.353 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.7 t30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.905 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.888 0.375 . . . . 61.04 110.853 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -113.59 158.97 20.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.824 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 t -100.12 -64.47 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.901 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.9 -165.82 23.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 73.41 112.489 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 m -62.34 94.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 55.51 110.899 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.61 28.23 15.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 53.21 110.889 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 m -105.48 160.47 15.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 72.32 110.901 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.0 mtt -133.19 154.23 81.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.702 . . . . 60.23 110.914 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 121.05 7.74 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.652 2.235 . . . . 64.0 112.305 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.85 82.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 60.13 110.887 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.94 71.25 0.69 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.765 -0.731 . . . . 51.02 112.472 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.84 12.67 57.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 71.41 112.567 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -126.65 -169.88 2.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 74.42 110.903 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -146.31 127.03 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 71.23 110.872 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -113.86 113.02 24.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 71.51 110.862 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.5 m -103.37 154.15 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.24 110.833 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -56.95 160.79 5.53 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.657 0.742 . . . . 74.34 110.891 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.78 -11.16 11.85 Favored 'Cis proline' 0 C--N 1.342 0.23 0 C-N-CA 122.646 -1.814 . . . . 71.31 112.347 -0.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -52.27 172.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.85 149.16 41.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 60.05 110.834 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.45 ' O ' HD13 ' A' ' 22' ' ' ILE . 27.8 t -98.67 92.35 5.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 73.45 110.872 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -130.85 155.05 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 53.3 111.153 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 56.1 22.37 5.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 73.42 110.856 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.59 4.67 71.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 62.5 112.493 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.5 t -124.53 169.75 11.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 71.44 111.183 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.01 100.35 13.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 74.11 110.928 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -79.5 99.73 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 64.33 110.895 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -53.38 164.76 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 71.03 110.884 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -140.7 157.93 44.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.904 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -89.82 149.32 22.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 42.24 110.851 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.0 t -127.46 72.78 77.75 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.677 0.751 . . . . 60.22 110.888 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 101.02 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 71.44 112.334 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 71.11 110.861 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.864 0.364 . . . . 71.52 110.923 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -110.53 176.04 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 74.4 110.866 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 t -111.91 -68.33 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 62.24 110.91 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.71 -163.4 11.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 63.14 112.453 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -62.33 94.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.39 . . . . 65.34 110.835 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 63.47 28.36 15.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 61.32 110.892 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 m -105.2 160.16 15.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mtt -132.27 154.01 81.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 73.34 110.89 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 119.91 6.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.702 2.268 . . . . 62.33 112.345 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.71 82.46 1.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 62.23 110.853 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.85 64.87 3.59 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 34.23 112.458 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.14 12.29 71.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 34.15 112.489 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -121.27 -169.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 63.2 110.9 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 t -148.45 112.61 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.14 110.842 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -102.5 112.48 25.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 74.44 110.869 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.2 m -103.1 155.33 18.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 71.22 110.906 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 6.0 mt-10 -57.17 160.78 6.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.66 0.743 . . . . 72.34 110.888 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.8 Cg_endo -69.78 -11.32 11.9 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 -1.795 . . . . 62.14 112.299 0.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -52.73 173.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 75.35 110.939 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.82 149.29 40.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.863 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.463 ' O ' HD13 ' A' ' 22' ' ' ILE . 39.7 t -98.48 92.53 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 62.44 110.862 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.31 155.2 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 75.12 111.163 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t0 56.0 22.54 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 64.13 110.921 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.1 5.05 69.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.797 -0.716 . . . . 45.02 112.505 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.65 170.27 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 73.15 111.147 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.41 100.32 13.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 72.13 110.862 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.59 99.17 7.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.862 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.96 168.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 62.25 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -141.29 172.82 12.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 63.13 110.889 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.9 p -143.86 153.04 41.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 63.34 110.922 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -140.87 68.97 29.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.723 0.773 . . . . 75.33 110.879 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -17.09 37.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 75.3 112.364 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.5 p30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 70.43 110.877 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.873 0.368 . . . . 74.14 110.852 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -94.07 116.54 28.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 74.12 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 t -91.38 -63.9 1.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.928 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.64 -166.58 22.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 41.14 112.47 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 m -62.21 95.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 74.21 110.877 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 t70 63.4 28.75 15.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 71.21 110.882 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 m -105.43 160.23 15.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 73.3 110.902 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 mtt -131.99 154.14 81.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 74.41 110.826 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 118.75 5.87 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.717 2.278 . . . . 74.11 112.36 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.55 82.94 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 54.25 110.852 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.53 63.9 4.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 75.11 112.463 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.8 12.76 74.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 62.43 112.519 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -120.36 -169.71 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 72.02 110.865 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -149.13 105.74 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 64.22 110.909 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.48 112.14 23.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 44.31 110.904 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.3 m -102.96 155.51 18.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 64.12 110.896 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 16.1 mt-10 -57.12 160.69 6.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 63.34 110.906 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.75 -11.26 11.82 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 -1.809 . . . . 54.53 112.327 -0.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -53.0 173.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.892 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -142.37 149.48 39.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 55.3 110.853 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' O ' HD13 ' A' ' 22' ' ' ILE . 42.5 t -98.66 92.33 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 70.4 110.868 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.466 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.4 mm -131.09 155.17 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 64.44 111.145 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.7 t70 56.06 22.43 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 62.21 110.846 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.35 4.75 70.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 30.23 112.506 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.7 t -124.43 170.45 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 73.42 111.148 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -90.65 100.34 13.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 62.44 110.837 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -79.58 99.87 7.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 73.31 110.845 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.94 168.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.866 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -137.88 160.53 39.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.879 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.2 p -114.31 -50.98 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 71.32 110.86 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.04 160.52 66.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.675 0.75 . . . . 73.13 110.833 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 103.84 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.645 2.23 . . . . 65.22 112.336 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 70.44 110.904 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.841 0.353 . . . . 74.34 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -120.1 161.26 21.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 65.54 110.831 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 t -60.18 -67.84 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 63.31 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.36 -165.25 13.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 51.31 112.49 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -62.02 95.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 73.24 110.838 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.51 30.67 15.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 75.12 110.827 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 m -108.0 160.7 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 51.03 110.899 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.6 mtt -132.74 154.25 81.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.583 0.706 . . . . 74.02 110.875 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 118.63 5.8 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.689 2.26 . . . . 74.35 112.317 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.71 83.05 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 52.35 110.889 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.68 63.77 4.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.771 -0.728 . . . . 62.05 112.47 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.66 12.59 74.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.731 . . . . 54.1 112.465 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -119.82 -169.75 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.92 0.39 . . . . 72.41 110.877 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.11 105.35 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 64.44 110.86 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.4 112.2 23.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 33.32 110.848 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 m -102.86 155.82 18.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 55.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 18.8 mt-10 -57.41 160.77 6.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 75.4 110.898 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.9 Cg_endo -69.75 -11.44 11.88 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.645 -1.815 . . . . 62.34 112.39 0.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -52.81 173.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.889 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -142.16 149.21 39.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 70.12 110.886 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.484 ' O ' HD13 ' A' ' 22' ' ' ILE . 47.0 t -98.35 92.63 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 74.02 110.858 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.5 155.34 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 75.42 111.139 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.8 t70 55.9 22.61 5.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 64.11 110.858 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.1 5.0 69.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.719 -0.753 . . . . 64.44 112.464 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.59 170.54 10.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 63.21 111.162 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -90.59 100.27 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.31 110.914 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -79.61 98.66 7.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 62.11 110.844 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.88 168.24 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 40.13 110.866 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -138.03 151.7 48.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 64.35 110.827 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.6 p -104.12 120.67 41.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 55.25 110.872 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -119.41 160.55 41.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.669 0.747 . . . . 74.41 110.904 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 98.67 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.248 . . . . 71.4 112.336 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.6 m120 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 72.33 110.914 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.854 0.359 . . . . 72.53 110.874 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -86.0 -178.43 6.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 62.15 110.893 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.7 t -110.17 -68.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 71.24 110.901 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.92 -164.07 11.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 71.35 112.523 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -62.15 95.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.378 . . . . 63.12 110.856 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 63.53 30.04 15.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 50.41 110.92 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 m -107.33 160.64 15.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 73.03 110.9 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.2 mtt -132.49 154.17 81.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.551 0.691 . . . . 64.4 110.857 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 118.7 5.84 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.665 2.243 . . . . 71.23 112.346 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.63 82.61 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 60.24 110.869 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.79 63.78 4.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 60.51 112.445 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.97 11.52 74.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 44.05 112.465 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -118.79 -169.59 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 75.31 110.883 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -149.34 106.18 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 52.12 110.877 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.1 t -96.44 112.1 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 63.12 110.873 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 m -102.71 155.79 18.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 52.23 110.899 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -57.4 160.81 6.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.669 0.747 . . . . 72.25 110.892 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.75 -11.43 11.87 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.657 -1.809 . . . . 61.02 112.336 0.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -52.78 173.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.925 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.9 149.25 39.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 73.31 110.849 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.481 ' O ' HD13 ' A' ' 22' ' ' ILE . 47.0 t -98.4 92.6 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 72.23 110.937 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.481 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.54 155.27 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 75.11 111.132 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t0 56.0 22.64 5.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 54.05 110.881 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.97 5.08 69.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 71.22 112.517 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.68 170.47 10.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 63.31 111.172 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.59 100.32 13.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 64.04 110.87 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -79.66 99.0 7.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 75.43 110.834 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -55.14 166.07 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.55 110.866 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -132.58 129.07 38.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 61.42 110.918 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.0 m -101.03 -74.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 71.45 110.881 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -131.64 160.53 67.02 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.651 0.739 . . . . 72.42 110.845 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -17.26 37.99 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 70.23 112.344 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 63.2 110.864 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.846 0.355 . . . . 74.2 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -108.79 155.59 20.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 64.02 110.831 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t -64.98 -66.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 70.03 110.856 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.68 -165.65 17.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.73 -0.748 . . . . 53.14 112.483 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.7 p -62.24 95.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 44.55 110.857 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 63.48 28.26 15.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 71.42 110.851 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.2 m -105.21 159.81 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 64.04 110.908 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.9 mtt -132.95 154.15 81.27 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.559 0.695 . . . . 63.43 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 120.51 7.27 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.266 . . . . 71.31 112.33 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.82 82.29 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 64.14 110.877 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.16 69.3 1.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 62.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.8 11.39 60.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 74.23 112.497 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -124.21 -169.92 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 74.34 110.88 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -147.0 122.02 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 51.22 110.915 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -108.95 111.95 23.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 63.12 110.87 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.3 m -101.94 154.07 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.85 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 14.8 mt-10 -57.1 160.83 5.79 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.661 0.743 . . . . 73.22 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.3 Cg_endo -69.84 -11.21 11.99 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 -1.789 . . . . 64.53 112.316 0.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -52.21 172.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 75.22 110.91 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.93 149.61 42.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 71.04 110.859 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.458 ' O ' HD13 ' A' ' 22' ' ' ILE . 32.1 t -98.74 92.47 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 63.33 110.894 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.458 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.14 155.23 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 61.44 111.117 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t70 56.05 22.38 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 63.31 110.862 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.56 4.52 70.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.722 -0.751 . . . . 61.2 112.479 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.5 t -124.2 170.42 10.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 75.45 111.155 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.8 t -90.58 100.31 13.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 61.32 110.921 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -79.68 97.81 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 63.44 110.823 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.81 168.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 63.11 110.883 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -132.69 121.08 22.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 62.01 110.885 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.8 t -156.94 145.51 19.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 73.3 110.791 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -111.94 160.62 29.18 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.703 0.764 . . . . 74.11 110.865 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 86.44 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.678 2.252 . . . . 53.01 112.309 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 72.22 110.894 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.814 0.34 . . . . 71.22 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -111.91 156.09 22.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 61.32 110.888 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.9 t -88.04 -64.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 65.43 110.805 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.79 -166.25 21.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 72.24 112.488 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 t -62.09 95.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.874 0.368 . . . . 75.42 110.867 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t0 63.46 27.47 15.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 74.3 110.878 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 m -103.96 158.94 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 73.43 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.0 mmm -130.86 154.22 81.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.532 0.682 . . . . 71.33 110.903 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 120.88 7.6 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.682 2.254 . . . . 71.11 112.37 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.03 82.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 70.31 110.874 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.45 64.62 3.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 71.2 112.517 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.96 11.21 74.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 44.21 112.526 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -121.05 -169.56 1.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 72.12 110.844 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.43 115.34 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 63.34 110.881 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 t -104.98 113.18 26.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 45.41 110.891 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.2 m -103.47 154.36 19.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 34.54 110.874 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 15.8 mt-10 -56.85 160.66 5.57 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.658 0.742 . . . . 74.15 110.843 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.5 Cg_endo -69.8 -11.27 11.93 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.718 -1.784 . . . . 52.42 112.297 0.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -52.41 172.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 71.21 110.889 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.13 149.41 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 53.03 110.825 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.467 ' O ' HD13 ' A' ' 22' ' ' ILE . 38.9 t -98.65 92.51 5.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 75.22 110.878 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.3 155.31 41.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 74.41 111.149 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 56.06 22.42 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.45 110.843 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.33 4.71 69.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 15.41 112.473 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.0 t -124.36 170.76 10.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 55.53 111.182 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.7 t -90.8 100.26 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 73.05 110.91 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.58 98.41 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 75.43 110.889 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.9 168.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.842 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -143.49 133.66 24.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 71.41 110.886 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 p -107.32 159.19 16.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 71.53 110.865 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.32 160.57 25.6 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.747 . . . . 74.11 110.871 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 175.43 8.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.24 . . . . 75.02 112.374 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 p30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 71.02 110.885 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.855 0.36 . . . . 72.21 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -92.77 155.08 17.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.854 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.27 -66.48 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 63.53 110.909 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.89 -164.89 14.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 64.05 112.488 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -62.37 94.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.889 0.376 . . . . 75.12 110.837 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 63.42 26.91 15.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 74.13 110.886 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.2 m -103.49 160.06 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 72.24 110.869 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.8 mtt -133.12 154.04 81.07 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.589 0.709 . . . . 54.42 110.871 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 121.31 8.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.732 2.288 . . . . 63.52 112.324 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.35 82.83 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 64.41 110.89 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.88 72.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 75.32 112.476 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.56 13.76 56.1 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.752 -0.737 . . . . 51.55 112.448 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -127.97 -169.87 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 61.23 110.921 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 t -146.03 129.13 16.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 70.24 110.826 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -115.73 112.53 22.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 64.51 110.92 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.9 m -102.87 153.91 19.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 64.45 110.907 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -56.88 160.77 5.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.731 . . . . 72.12 110.907 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.8 Cg_endo -69.78 -11.18 11.86 Favored 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.671 -1.804 . . . . 62.12 112.329 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -52.18 172.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.833 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.92 149.35 41.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 64.44 110.885 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.447 ' O ' HD13 ' A' ' 22' ' ' ILE . 30.6 t -98.69 92.29 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 31.2 110.851 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.447 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.5 mm -130.9 155.12 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 73.41 111.111 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 56.08 22.29 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 53.41 110.903 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.63 4.74 71.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 52.2 112.468 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.62 169.86 11.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 54.31 111.14 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -90.13 100.34 13.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 51.43 110.884 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -79.51 99.51 7.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 72.2 110.845 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -53.27 165.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 63.14 110.881 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -137.7 158.67 43.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.922 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -154.86 125.92 7.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.01 110.822 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.97 160.65 66.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.673 0.749 . . . . 53.25 110.868 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 169.08 19.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 75.13 112.339 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 64.55 110.857 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.842 0.353 . . . . 72.5 110.901 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -86.2 167.77 14.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 61.41 110.912 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.4 t -97.36 -64.14 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 55.24 110.851 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.44 -165.75 21.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 75.22 112.473 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 m -62.37 94.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 72.34 110.812 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t0 63.64 27.33 14.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 75.13 110.824 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 m -104.3 161.02 14.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 65.52 110.902 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mtt -130.11 152.99 81.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.593 0.711 . . . . 64.32 110.861 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 131.22 20.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 72.34 112.37 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.0 m -133.18 62.84 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.866 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 55.49 81.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 73.23 112.443 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.53 13.59 55.61 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 32.44 112.487 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -131.03 178.99 6.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 74.31 110.853 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -147.68 117.64 7.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 53.4 110.844 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -105.78 113.2 26.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 74.04 110.868 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -102.86 154.39 19.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 72.52 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -57.36 160.95 6.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.667 0.746 . . . . 64.24 110.913 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.3 Cg_endo -69.81 -11.22 11.94 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 -1.804 . . . . 71.12 112.304 0.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -52.13 172.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 73.44 110.915 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.37 149.38 42.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 71.4 110.849 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.458 ' O ' HD13 ' A' ' 22' ' ' ILE . 37.2 t -98.65 92.46 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 73.15 110.876 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.458 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.26 155.21 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.41 111.125 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.2 t0 55.95 22.58 5.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 63.31 110.852 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.17 4.99 69.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 51.22 112.525 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.63 170.29 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 72.11 111.167 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.39 100.39 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.855 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -79.66 99.1 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 62.14 110.834 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -52.06 165.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 55.13 110.878 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -145.33 168.59 20.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.445 . . . . 62.02 110.884 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.0 m -132.03 65.05 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 61.51 110.847 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.8 m -151.58 70.17 8.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.699 0.761 . . . . 72.13 110.827 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 145.23 56.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.244 . . . . 63.15 112.332 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.6 t30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.912 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.883 0.373 . . . . 75.14 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -77.85 150.09 34.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 74.42 110.821 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 t -114.88 -65.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 73.45 110.9 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.31 -164.79 16.88 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.743 -0.742 . . . . 62.15 112.463 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -62.43 94.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 65.01 110.857 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 63.77 26.15 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 m -103.44 162.37 13.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 61.3 110.823 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.3 mmt -130.77 152.88 81.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.516 0.674 . . . . 70.45 110.919 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 131.21 20.8 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.716 2.277 . . . . 70.54 112.349 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.7 m -133.16 62.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 73.44 110.85 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 55.45 81.22 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 72.2 112.46 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.59 13.61 55.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 64.12 112.502 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -131.24 179.07 6.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.936 0.398 . . . . 54.25 110.889 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -147.95 117.54 7.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 63.44 110.882 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -105.79 113.53 27.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.23 110.898 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.3 m -103.3 154.5 19.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.817 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.1 mt-10 -57.3 160.93 6.09 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.646 0.736 . . . . 54.04 110.894 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.6 Cg_endo -69.79 -11.18 11.89 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 -1.792 . . . . 71.42 112.338 0.011 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -52.17 172.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 63.5 110.859 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.43 149.25 42.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 53.54 110.899 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.467 ' O ' HD13 ' A' ' 22' ' ' ILE . 37.0 t -98.52 92.48 5.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 63.21 110.867 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.4 mm -131.28 155.28 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.32 111.11 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 56.01 22.44 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 71.32 110.881 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.18 4.98 69.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 41.4 112.491 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.5 170.51 10.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 72.4 111.14 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.59 100.37 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 63.34 110.856 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.69 98.48 6.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.853 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -52.0 167.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 62.41 110.867 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -146.49 127.32 14.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.853 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -87.88 -30.15 20.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 72.04 110.844 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.6 t 54.07 73.11 0.96 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 73.34 110.913 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -28.17 25.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.634 2.223 . . . . 73.42 112.344 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 72.02 110.893 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.861 0.362 . . . . 63.11 110.813 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -93.83 160.34 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 73.24 110.857 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 t -100.33 -64.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 73.4 110.898 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.95 -166.14 23.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 61.33 112.494 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 p -62.31 95.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 34.34 110.839 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 63.52 27.63 15.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.868 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 m -104.33 161.08 14.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 63.12 110.826 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 mtt -130.71 153.03 81.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.562 0.696 . . . . 64.51 110.868 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 130.73 19.81 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 74.44 112.296 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.9 m -132.77 65.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 61.22 110.902 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.71 80.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 52.25 112.484 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.41 13.81 55.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 54.52 112.493 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -132.18 173.44 11.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.917 0.389 . . . . 65.21 110.915 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.44 119.86 12.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 64.11 110.867 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -107.66 114.01 27.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 60.24 110.9 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -103.93 154.94 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 71.23 110.862 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -57.37 160.88 6.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.619 0.723 . . . . 74.22 110.869 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.7 Cg_endo -69.7 -11.38 11.76 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.72 -1.783 . . . . 70.41 112.328 -0.034 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -52.21 172.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 64.41 110.892 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.61 149.26 42.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 54.21 110.814 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.489 ' O ' HD13 ' A' ' 22' ' ' ILE . 37.9 t -98.36 92.67 5.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 70.42 110.909 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.68 155.36 41.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.21 111.134 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.6 t0 55.91 22.71 5.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 74.01 110.832 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.77 5.4 69.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.49 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.91 170.67 10.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.334 . . . . 73.42 111.132 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.61 100.35 13.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 73.44 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -79.8 97.8 6.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 75.01 110.851 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.93 168.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.844 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -144.79 118.15 9.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 53.53 110.895 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.9 p -115.5 51.89 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.889 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 p -177.49 160.61 1.39 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.691 0.757 . . . . 62.5 110.892 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -32.13 18.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.707 2.271 . . . . 74.11 112.31 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.1 t30 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 75.24 110.91 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.863 0.363 . . . . 64.54 110.862 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -63.59 177.15 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.87 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.8 t -64.24 -65.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 65.44 110.861 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.63 -163.91 13.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 64.22 112.5 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 m -62.45 94.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 53.43 110.839 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.88 26.31 14.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.841 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 m -103.45 164.06 11.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 44.42 110.857 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.2 mtt -133.25 154.51 81.13 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.604 0.716 . . . . 75.13 110.864 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 120.33 7.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.672 2.248 . . . . 74.32 112.36 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.49 81.5 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.863 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.42 64.33 3.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 63.22 112.5 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.13 10.79 74.29 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 43.42 112.523 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -118.59 -169.57 1.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 70.4 110.879 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -149.74 110.08 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 62.44 110.849 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.5 t -99.92 115.72 30.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 53.12 110.891 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.4 m -108.56 152.6 24.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 43.35 110.897 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.7 pt-20 -53.83 158.3 3.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.723 . . . . 71.1 110.895 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.75 -12.04 12.06 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.64 -1.817 . . . . 75.43 112.398 -0.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -52.47 172.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 55.35 110.878 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -142.43 149.53 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 61.51 110.88 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.426 ' O ' HD13 ' A' ' 22' ' ' ILE . 38.1 t -99.0 92.29 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 64.43 110.89 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.426 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.4 mm -130.46 155.2 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.13 111.129 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 t0 56.11 22.13 5.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 54.32 110.832 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.33 3.35 70.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 73.42 112.513 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.7 t -123.3 170.35 10.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 71.33 111.148 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.7 t -90.71 100.32 13.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 72.52 110.868 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -79.56 99.84 7.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 75.33 110.834 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -52.23 168.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 61.23 110.824 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -147.58 164.56 33.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 74.21 110.892 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.8 p -157.8 162.57 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.874 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.09 160.58 31.78 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.649 0.738 . . . . 64.55 110.807 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.48 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.694 2.263 . . . . 74.31 112.332 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.855 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.857 0.361 . . . . 54.02 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -67.68 150.29 48.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 55.43 110.816 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 t -104.49 -68.07 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 72.54 110.867 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.88 -165.09 13.02 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 45.11 112.516 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -61.88 94.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 72.54 110.892 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 63.68 32.43 13.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 54.22 110.852 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 m -110.4 163.4 13.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 70.3 110.898 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mtp -133.24 154.48 81.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.542 0.687 . . . . 54.23 110.894 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 120.92 7.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.732 2.288 . . . . 71.43 112.333 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -123.76 82.18 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 54.33 110.881 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.71 63.72 4.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 51.42 112.48 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.97 10.56 73.1 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.771 -0.728 . . . . 63.25 112.458 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -117.78 -169.62 1.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 72.12 110.866 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -149.65 110.23 4.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.877 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 t -100.42 115.28 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 64.42 110.846 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.1 m -107.96 152.32 24.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 33.04 110.869 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.504 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.8 pt-20 -53.84 158.39 3.38 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.663 0.744 . . . . 71.14 110.886 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.5 Cg_endo -69.75 -12.16 12.09 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 -1.792 . . . . 70.51 112.324 0.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -52.25 172.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 63.35 110.901 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -142.29 149.77 39.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 40.24 110.835 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.427 ' O ' HD13 ' A' ' 22' ' ' ILE . 49.4 t -99.1 92.36 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 72.15 110.904 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.427 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.6 mm -130.61 155.03 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 73.42 111.084 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t0 56.24 22.09 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 71.21 110.83 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.36 3.25 70.22 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 74.34 112.468 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 t -123.2 170.06 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 74.32 111.144 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.8 t -90.48 100.33 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 65.14 110.862 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.5 99.57 7.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.843 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.67 168.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.15 110.845 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -142.95 119.11 10.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 44.44 110.891 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.4 p -134.74 177.38 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 63.55 110.834 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.04 160.6 0.12 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.713 0.768 . . . . 70.01 110.855 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 155.8 65.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.745 2.297 . . . . 75.34 112.313 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.892 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.477 -0.249 . . . . 74.31 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -120.44 -169.72 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.928 0.394 . . . . 63.32 110.926 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.91 105.42 3.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 31.22 110.908 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.2 t -95.45 111.86 23.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.871 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 m -102.62 155.74 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 70.04 110.912 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -57.34 160.77 6.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 73.55 110.898 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.1 Cg_endo -69.78 -11.43 11.93 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 -1.799 . . . . 71.32 112.315 -0.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -52.81 173.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 72.55 110.911 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.91 149.19 39.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.865 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.463 ' O ' HD13 ' A' ' 22' ' ' ILE . 47.3 t -98.56 92.42 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 64.14 110.854 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.5 mm -131.15 155.16 41.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 62.14 111.053 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 56.06 22.46 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.829 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.37 4.77 70.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 72.14 112.479 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.57 170.29 11.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 55.44 111.154 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.43 100.38 13.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 72.25 110.845 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.62 100.22 7.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 64.3 110.872 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -53.27 164.78 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.868 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 72.52 110.865 -179.943 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.507 -0.237 . . . . 54.31 112.507 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -120.79 -169.76 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 74.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.79 108.6 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.856 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -98.3 111.98 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.93 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.5 m -102.58 155.46 18.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 72.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.504 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -57.32 160.77 6.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 75.15 110.893 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.4 Cg_endo -69.79 -11.42 11.96 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.649 -1.813 . . . . 74.22 112.36 0.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -52.61 172.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 64.15 110.845 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.41 148.97 40.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.33 110.849 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.459 ' O ' HD13 ' A' ' 22' ' ' ILE . 41.7 t -98.36 92.39 5.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 70.42 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.459 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.08 155.28 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 64.43 111.156 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 t70 55.97 22.44 5.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 75.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.37 4.68 69.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 73.54 112.534 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.0 t -124.35 170.49 10.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 72.53 111.121 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.57 100.26 13.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.859 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.54 99.24 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 65.22 110.912 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -52.06 167.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.859 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.909 -179.926 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.567 -0.213 . . . . 71.41 112.567 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -126.65 -169.88 2.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 74.42 110.903 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -146.31 127.03 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 71.23 110.872 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -113.86 113.02 24.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 71.51 110.862 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.5 m -103.37 154.15 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.24 110.833 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -56.95 160.79 5.53 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.657 0.742 . . . . 74.34 110.891 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.78 -11.16 11.85 Favored 'Cis proline' 0 C--N 1.342 0.23 0 C-N-CA 122.646 -1.814 . . . . 71.31 112.347 -0.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -52.27 172.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.85 149.16 41.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 60.05 110.834 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.45 ' O ' HD13 ' A' ' 22' ' ' ILE . 27.8 t -98.67 92.35 5.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 73.45 110.872 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -130.85 155.05 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 53.3 111.153 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 56.1 22.37 5.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 73.42 110.856 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.59 4.67 71.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 62.5 112.493 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.5 t -124.53 169.75 11.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 71.44 111.183 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.01 100.35 13.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 74.11 110.928 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -79.5 99.73 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 64.33 110.895 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -53.38 164.76 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 71.03 110.884 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.904 -179.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.489 -0.245 . . . . 34.15 112.489 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -121.27 -169.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 63.2 110.9 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 t -148.45 112.61 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.14 110.842 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -102.5 112.48 25.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 74.44 110.869 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.2 m -103.1 155.33 18.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 71.22 110.906 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 6.0 mt-10 -57.17 160.78 6.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.66 0.743 . . . . 72.34 110.888 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.8 Cg_endo -69.78 -11.32 11.9 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 -1.795 . . . . 62.14 112.299 0.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -52.73 173.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 75.35 110.939 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.82 149.29 40.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.863 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.463 ' O ' HD13 ' A' ' 22' ' ' ILE . 39.7 t -98.48 92.53 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 62.44 110.862 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.31 155.2 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 75.12 111.163 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t0 56.0 22.54 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 64.13 110.921 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.1 5.05 69.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.797 -0.716 . . . . 45.02 112.505 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.65 170.27 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 73.15 111.147 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.41 100.32 13.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 72.13 110.862 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.59 99.17 7.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.862 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.96 168.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 62.25 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 63.13 110.889 -179.881 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.519 -0.233 . . . . 62.43 112.519 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -120.36 -169.71 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 72.02 110.865 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -149.13 105.74 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 64.22 110.909 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.48 112.14 23.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 44.31 110.904 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.3 m -102.96 155.51 18.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 64.12 110.896 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 16.1 mt-10 -57.12 160.69 6.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 63.34 110.906 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.75 -11.26 11.82 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 -1.809 . . . . 54.53 112.327 -0.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -53.0 173.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.892 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -142.37 149.48 39.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 55.3 110.853 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.466 ' O ' HD13 ' A' ' 22' ' ' ILE . 42.5 t -98.66 92.33 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 70.4 110.868 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.466 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.4 mm -131.09 155.17 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 64.44 111.145 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.7 t70 56.06 22.43 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 62.21 110.846 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.35 4.75 70.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 30.23 112.506 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.7 t -124.43 170.45 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 73.42 111.148 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -90.65 100.34 13.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 62.44 110.837 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -79.58 99.87 7.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 73.31 110.845 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.94 168.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.866 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.879 -179.9 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.465 -0.254 . . . . 54.1 112.465 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -119.82 -169.75 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.92 0.39 . . . . 72.41 110.877 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.11 105.35 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 64.44 110.86 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.4 112.2 23.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 33.32 110.848 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 m -102.86 155.82 18.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 55.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 18.8 mt-10 -57.41 160.77 6.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 75.4 110.898 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.9 Cg_endo -69.75 -11.44 11.88 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.645 -1.815 . . . . 62.34 112.39 0.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -52.81 173.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.889 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -142.16 149.21 39.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 70.12 110.886 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.484 ' O ' HD13 ' A' ' 22' ' ' ILE . 47.0 t -98.35 92.63 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 74.02 110.858 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.5 155.34 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 75.42 111.139 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.8 t70 55.9 22.61 5.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 64.11 110.858 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.1 5.0 69.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.719 -0.753 . . . . 64.44 112.464 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.59 170.54 10.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 63.21 111.162 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -90.59 100.27 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.31 110.914 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -79.61 98.66 7.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 62.11 110.844 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -52.88 168.24 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 40.13 110.866 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 64.35 110.827 -179.92 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.465 -0.254 . . . . 44.05 112.465 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -118.79 -169.59 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 75.31 110.883 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -149.34 106.18 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 52.12 110.877 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.1 t -96.44 112.1 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 63.12 110.873 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 m -102.71 155.79 18.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 52.23 110.899 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -57.4 160.81 6.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.669 0.747 . . . . 72.25 110.892 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.75 -11.43 11.87 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.657 -1.809 . . . . 61.02 112.336 0.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -52.78 173.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.925 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.9 149.25 39.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 73.31 110.849 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.481 ' O ' HD13 ' A' ' 22' ' ' ILE . 47.0 t -98.4 92.6 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 72.23 110.937 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.481 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.54 155.27 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 75.11 111.132 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t0 56.0 22.64 5.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 54.05 110.881 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.97 5.08 69.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 71.22 112.517 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.68 170.47 10.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 63.31 111.172 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.59 100.32 13.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 64.04 110.87 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -79.66 99.0 7.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 75.43 110.834 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -55.14 166.07 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.55 110.866 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 61.42 110.918 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.497 -0.241 . . . . 74.23 112.497 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -124.21 -169.92 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 74.34 110.88 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -147.0 122.02 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 51.22 110.915 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -108.95 111.95 23.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 63.12 110.87 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.3 m -101.94 154.07 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.85 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 14.8 mt-10 -57.1 160.83 5.79 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.661 0.743 . . . . 73.22 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.3 Cg_endo -69.84 -11.21 11.99 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 -1.789 . . . . 64.53 112.316 0.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -52.21 172.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 75.22 110.91 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.93 149.61 42.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 71.04 110.859 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.458 ' O ' HD13 ' A' ' 22' ' ' ILE . 32.1 t -98.74 92.47 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 63.33 110.894 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.458 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.14 155.23 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 61.44 111.117 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t70 56.05 22.38 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 63.31 110.862 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.56 4.52 70.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.722 -0.751 . . . . 61.2 112.479 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.5 t -124.2 170.42 10.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 75.45 111.155 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.8 t -90.58 100.31 13.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 61.32 110.921 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -79.68 97.81 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 63.44 110.823 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.81 168.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 63.11 110.883 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 62.01 110.885 -179.93 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.526 -0.23 . . . . 44.21 112.526 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -121.05 -169.56 1.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 72.12 110.844 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.43 115.34 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 63.34 110.881 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 t -104.98 113.18 26.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 45.41 110.891 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.2 m -103.47 154.36 19.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 34.54 110.874 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 15.8 mt-10 -56.85 160.66 5.57 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.658 0.742 . . . . 74.15 110.843 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.5 Cg_endo -69.8 -11.27 11.93 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.718 -1.784 . . . . 52.42 112.297 0.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -52.41 172.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 71.21 110.889 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.13 149.41 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 53.03 110.825 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.467 ' O ' HD13 ' A' ' 22' ' ' ILE . 38.9 t -98.65 92.51 5.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 75.22 110.878 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.3 155.31 41.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 74.41 111.149 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 56.06 22.42 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.45 110.843 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.33 4.71 69.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 15.41 112.473 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.0 t -124.36 170.76 10.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 55.53 111.182 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.7 t -90.8 100.26 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 73.05 110.91 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.58 98.41 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 75.43 110.889 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.9 168.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.842 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 71.41 110.886 -179.899 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.265 0 N-CA-C 112.448 -0.261 . . . . 51.55 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -127.97 -169.87 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 61.23 110.921 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 t -146.03 129.13 16.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 70.24 110.826 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -115.73 112.53 22.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 64.51 110.92 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.9 m -102.87 153.91 19.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 64.45 110.907 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -56.88 160.77 5.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.731 . . . . 72.12 110.907 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.8 Cg_endo -69.78 -11.18 11.86 Favored 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.671 -1.804 . . . . 62.12 112.329 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -52.18 172.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.833 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.92 149.35 41.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 64.44 110.885 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.447 ' O ' HD13 ' A' ' 22' ' ' ILE . 30.6 t -98.69 92.29 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 31.2 110.851 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.447 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.5 mm -130.9 155.12 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 73.41 111.111 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 56.08 22.29 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 53.41 110.903 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.63 4.74 71.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 52.2 112.468 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.62 169.86 11.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 54.31 111.14 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -90.13 100.34 13.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 51.43 110.884 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -79.51 99.51 7.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 72.2 110.845 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -53.27 165.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 63.14 110.881 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.922 -179.917 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.487 -0.245 . . . . 32.44 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -131.03 178.99 6.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 74.31 110.853 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -147.68 117.64 7.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 53.4 110.844 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -105.78 113.2 26.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 74.04 110.868 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -102.86 154.39 19.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 72.52 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -57.36 160.95 6.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.667 0.746 . . . . 64.24 110.913 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.3 Cg_endo -69.81 -11.22 11.94 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 -1.804 . . . . 71.12 112.304 0.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -52.13 172.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 73.44 110.915 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.37 149.38 42.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 71.4 110.849 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.458 ' O ' HD13 ' A' ' 22' ' ' ILE . 37.2 t -98.65 92.46 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 73.15 110.876 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.458 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.26 155.21 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.41 111.125 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.2 t0 55.95 22.58 5.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 63.31 110.852 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.17 4.99 69.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 51.22 112.525 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.63 170.29 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 72.11 111.167 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.39 100.39 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.855 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -79.66 99.1 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 62.14 110.834 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -52.06 165.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 55.13 110.878 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.445 . . . . 62.02 110.884 -179.912 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.502 -0.239 . . . . 64.12 112.502 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -131.24 179.07 6.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.936 0.398 . . . . 54.25 110.889 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -147.95 117.54 7.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 63.44 110.882 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -105.79 113.53 27.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.23 110.898 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.3 m -103.3 154.5 19.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.817 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.1 mt-10 -57.3 160.93 6.09 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.646 0.736 . . . . 54.04 110.894 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.6 Cg_endo -69.79 -11.18 11.89 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 -1.792 . . . . 71.42 112.338 0.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -52.17 172.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 63.5 110.859 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.43 149.25 42.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 53.54 110.899 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.467 ' O ' HD13 ' A' ' 22' ' ' ILE . 37.0 t -98.52 92.48 5.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 63.21 110.867 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.4 mm -131.28 155.28 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.32 111.11 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 56.01 22.44 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 71.32 110.881 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.18 4.98 69.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 41.4 112.491 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.5 170.51 10.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 72.4 111.14 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.59 100.37 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 63.34 110.856 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.69 98.48 6.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.853 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -52.0 167.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 62.41 110.867 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.853 -179.866 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.493 -0.243 . . . . 54.52 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -132.18 173.44 11.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.917 0.389 . . . . 65.21 110.915 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.44 119.86 12.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 64.11 110.867 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -107.66 114.01 27.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 60.24 110.9 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -103.93 154.94 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 71.23 110.862 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -57.37 160.88 6.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.619 0.723 . . . . 74.22 110.869 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.7 Cg_endo -69.7 -11.38 11.76 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.72 -1.783 . . . . 70.41 112.328 -0.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -52.21 172.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 64.41 110.892 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.61 149.26 42.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 54.21 110.814 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.489 ' O ' HD13 ' A' ' 22' ' ' ILE . 37.9 t -98.36 92.67 5.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 70.42 110.909 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.68 155.36 41.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.21 111.134 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.6 t0 55.91 22.71 5.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 74.01 110.832 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.77 5.4 69.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.49 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.91 170.67 10.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.334 . . . . 73.42 111.132 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.61 100.35 13.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 73.44 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -79.8 97.8 6.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 75.01 110.851 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.93 168.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.844 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 53.53 110.895 -179.928 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.523 -0.231 . . . . 43.42 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -118.59 -169.57 1.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 70.4 110.879 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -149.74 110.08 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 62.44 110.849 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.5 t -99.92 115.72 30.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 53.12 110.891 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.4 m -108.56 152.6 24.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 43.35 110.897 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.7 pt-20 -53.83 158.3 3.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.723 . . . . 71.1 110.895 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.75 -12.04 12.06 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.64 -1.817 . . . . 75.43 112.398 -0.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -52.47 172.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 55.35 110.878 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -142.43 149.53 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 61.51 110.88 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.426 ' O ' HD13 ' A' ' 22' ' ' ILE . 38.1 t -99.0 92.29 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 64.43 110.89 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.426 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.4 mm -130.46 155.2 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.13 111.129 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 t0 56.11 22.13 5.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 54.32 110.832 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.33 3.35 70.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 73.42 112.513 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.7 t -123.3 170.35 10.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 71.33 111.148 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.7 t -90.71 100.32 13.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 72.52 110.868 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -79.56 99.84 7.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 75.33 110.834 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -52.23 168.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 61.23 110.824 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 74.21 110.892 -179.925 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.458 -0.257 . . . . 63.25 112.458 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -117.78 -169.62 1.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 72.12 110.866 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -149.65 110.23 4.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.877 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 t -100.42 115.28 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 64.42 110.846 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.1 m -107.96 152.32 24.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 33.04 110.869 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.504 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.8 pt-20 -53.84 158.39 3.38 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.663 0.744 . . . . 71.14 110.886 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.5 Cg_endo -69.75 -12.16 12.09 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 -1.792 . . . . 70.51 112.324 0.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -52.25 172.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 63.35 110.901 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -142.29 149.77 39.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 40.24 110.835 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.427 ' O ' HD13 ' A' ' 22' ' ' ILE . 49.4 t -99.1 92.36 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 72.15 110.904 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.427 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.6 mm -130.61 155.03 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 73.42 111.084 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t0 56.24 22.09 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 71.21 110.83 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.36 3.25 70.22 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 74.34 112.468 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 t -123.2 170.06 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 74.32 111.144 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.8 t -90.48 100.33 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 65.14 110.862 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.5 99.57 7.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.843 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.67 168.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.15 110.845 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 44.44 110.891 -179.933 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.89 0.376 . . . . 74.33 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -124.86 166.83 15.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 54.41 110.884 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.2 t -96.99 -67.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 32.42 110.891 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.32 -164.88 12.95 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.741 . . . . 51.23 112.535 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -62.11 95.21 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 55.33 110.811 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 63.42 30.25 15.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 71.32 110.904 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 m -107.45 160.63 15.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.892 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.1 mtt -132.75 154.14 81.34 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.575 0.703 . . . . 72.21 110.87 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 118.52 5.73 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.729 2.286 . . . . 53.52 112.361 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.48 83.09 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 71.04 110.865 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.59 63.87 4.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 32.54 112.489 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.66 13.01 74.6 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.735 -0.745 . . . . 74.31 112.477 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -120.44 -169.72 1.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.928 0.394 . . . . 63.32 110.926 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.91 105.42 3.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 31.22 110.908 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.2 t -95.45 111.86 23.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 74.24 110.871 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.0 m -102.62 155.74 18.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 70.04 110.912 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -57.34 160.77 6.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.649 0.738 . . . . 73.55 110.898 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.1 Cg_endo -69.78 -11.43 11.93 Favored 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 -1.799 . . . . 71.32 112.315 -0.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -52.81 173.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.421 . . . . 72.55 110.911 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.91 149.19 39.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.865 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.463 ' O ' HD13 ' A' ' 22' ' ' ILE . 47.3 t -98.56 92.42 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.111 -0.495 . . . . 64.14 110.854 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.5 mm -131.15 155.16 41.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 62.14 111.053 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.8 t70 56.06 22.46 5.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 74.32 110.829 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.37 4.77 70.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 72.14 112.479 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.57 170.29 11.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.838 0.351 . . . . 55.44 111.154 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.43 100.38 13.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.452 . . . . 72.25 110.845 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.62 100.22 7.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 64.3 110.872 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -53.27 164.78 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 74.42 110.868 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -129.74 121.75 27.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 72.52 110.865 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.4 t -92.6 177.83 5.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 51.01 110.855 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.1 t -141.42 73.18 25.37 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.681 0.753 . . . . 75.14 110.826 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 109.83 2.41 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 72.35 112.35 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.893 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.873 0.368 . . . . 70.12 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -60.56 125.18 22.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 74.03 110.883 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.3 t -62.14 -67.65 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 60.25 110.876 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.88 -165.65 14.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.734 . . . . 24.45 112.47 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -62.02 95.23 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 73.41 110.856 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.58 31.21 14.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 75.3 110.865 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 m -108.89 159.84 16.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 70.44 110.84 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 72.1 mmm -132.02 154.15 81.6 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.546 0.689 . . . . 74.35 110.886 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 119.16 6.15 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.688 2.259 . . . . 74.45 112.32 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.61 82.44 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 74.35 110.866 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.87 64.66 3.76 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.717 -0.754 . . . . 73.54 112.517 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.22 12.47 72.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.766 -0.731 . . . . 54.31 112.507 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -120.79 -169.76 1.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.861 0.362 . . . . 74.0 110.882 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.79 108.6 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.856 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -98.3 111.98 24.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.13 110.93 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.5 m -102.58 155.46 18.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 72.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.504 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -57.32 160.77 6.37 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.621 0.724 . . . . 75.15 110.893 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.4 Cg_endo -69.79 -11.42 11.96 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.649 -1.813 . . . . 74.22 112.36 0.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -52.61 172.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 64.15 110.845 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.41 148.97 40.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 75.33 110.849 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.459 ' O ' HD13 ' A' ' 22' ' ' ILE . 41.7 t -98.36 92.39 5.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 70.42 110.893 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.459 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.08 155.28 41.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 64.43 111.156 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 t70 55.97 22.44 5.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.439 . . . . 75.0 110.858 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.37 4.68 69.95 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.744 -0.741 . . . . 73.54 112.534 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.0 t -124.35 170.49 10.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 72.53 111.121 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.57 100.26 13.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 73.33 110.859 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.54 99.24 7.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 65.22 110.912 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -52.06 167.05 0.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 74.54 110.859 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -141.29 119.62 12.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 75.31 110.909 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.0 t -125.72 85.61 2.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.842 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.6 t -132.4 71.74 78.94 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.641 0.734 . . . . 62.24 110.853 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 174.45 9.43 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.674 2.249 . . . . 71.24 112.353 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.7 t30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 73.31 110.905 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.888 0.375 . . . . 61.04 110.853 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 -113.59 158.97 20.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 72.13 110.824 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.9 t -100.12 -64.47 1.04 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 70.44 110.901 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.9 -165.82 23.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 73.41 112.489 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.5 m -62.34 94.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 55.51 110.899 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 63.61 28.23 15.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 53.21 110.889 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 m -105.48 160.47 15.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 72.32 110.901 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 17.0 mtt -133.19 154.23 81.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.702 . . . . 60.23 110.914 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 121.05 7.74 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.652 2.235 . . . . 64.0 112.305 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.85 82.36 1.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 60.13 110.887 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.94 71.25 0.69 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.765 -0.731 . . . . 51.02 112.472 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 65.84 12.67 57.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.735 -0.745 . . . . 71.41 112.567 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -126.65 -169.88 2.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.909 0.385 . . . . 74.42 110.903 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -146.31 127.03 14.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 71.23 110.872 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -113.86 113.02 24.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 71.51 110.862 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.5 m -103.37 154.15 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 71.24 110.833 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -56.95 160.79 5.53 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.657 0.742 . . . . 74.34 110.891 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.78 -11.16 11.85 Favored 'Cis proline' 0 C--N 1.342 0.23 0 C-N-CA 122.646 -1.814 . . . . 71.31 112.347 -0.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -52.27 172.23 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 75.41 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.85 149.16 41.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 60.05 110.834 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.45 ' O ' HD13 ' A' ' 22' ' ' ILE . 27.8 t -98.67 92.35 5.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 73.45 110.872 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.45 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -130.85 155.05 41.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 53.3 111.153 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 56.1 22.37 5.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 73.42 110.856 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.59 4.67 71.0 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.751 . . . . 62.5 112.493 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.5 t -124.53 169.75 11.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.848 0.356 . . . . 71.44 111.183 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.01 100.35 13.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 74.11 110.928 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -79.5 99.73 7.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 64.33 110.895 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -53.38 164.76 0.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 71.03 110.884 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -140.7 157.93 44.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.904 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.1 m -89.82 149.32 22.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 42.24 110.851 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.0 t -127.46 72.78 77.75 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.677 0.751 . . . . 60.22 110.888 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 101.02 0.86 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.67 2.247 . . . . 71.44 112.334 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.0 m120 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 71.11 110.861 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.864 0.364 . . . . 71.52 110.923 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -110.53 176.04 5.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.108 -0.496 . . . . 74.4 110.866 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.9 t -111.91 -68.33 0.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 62.24 110.91 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.71 -163.4 11.26 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 63.14 112.453 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -62.33 94.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.92 0.39 . . . . 65.34 110.835 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 63.47 28.36 15.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 61.32 110.892 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 m -105.2 160.16 15.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.907 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.1 mtt -132.27 154.01 81.46 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 73.34 110.89 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 119.91 6.77 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.702 2.268 . . . . 62.33 112.345 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.71 82.46 1.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 62.23 110.853 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.85 64.87 3.59 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.749 -0.739 . . . . 34.23 112.458 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.14 12.29 71.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.744 -0.741 . . . . 34.15 112.489 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -121.27 -169.76 1.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.912 0.387 . . . . 63.2 110.9 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 t -148.45 112.61 5.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 72.14 110.842 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -102.5 112.48 25.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 74.44 110.869 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.2 m -103.1 155.33 18.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.462 . . . . 71.22 110.906 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 6.0 mt-10 -57.17 160.78 6.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.66 0.743 . . . . 72.34 110.888 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.8 Cg_endo -69.78 -11.32 11.9 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.693 -1.795 . . . . 62.14 112.299 0.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -52.73 173.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 75.35 110.939 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.82 149.29 40.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 74.33 110.863 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.463 ' O ' HD13 ' A' ' 22' ' ' ILE . 39.7 t -98.48 92.53 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 62.44 110.862 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.463 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.31 155.2 41.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 75.12 111.163 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.7 t0 56.0 22.54 5.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 64.13 110.921 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.1 5.05 69.76 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.797 -0.716 . . . . 45.02 112.505 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.65 170.27 11.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 73.15 111.147 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.41 100.32 13.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 72.13 110.862 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.59 99.17 7.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 74.02 110.862 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.96 168.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 62.25 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -141.29 172.82 12.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 63.13 110.889 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.9 p -143.86 153.04 41.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 63.34 110.922 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 p -140.87 68.97 29.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.723 0.773 . . . . 75.33 110.879 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -17.09 37.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.71 2.273 . . . . 75.3 112.364 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 15.5 p30 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 70.43 110.877 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.873 0.368 . . . . 74.14 110.852 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -94.07 116.54 28.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 74.12 110.868 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.1 t -91.38 -63.9 1.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 73.04 110.928 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.64 -166.58 22.72 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 41.14 112.47 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.7 m -62.21 95.25 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.846 0.355 . . . . 74.21 110.877 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.3 t70 63.4 28.75 15.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 71.21 110.882 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 m -105.43 160.23 15.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 73.3 110.902 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 mtt -131.99 154.14 81.61 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 74.41 110.826 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 118.75 5.87 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.717 2.278 . . . . 74.11 112.36 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.55 82.94 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 54.25 110.852 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.53 63.9 4.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 75.11 112.463 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.8 12.76 74.87 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.715 -0.755 . . . . 62.43 112.519 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -120.36 -169.71 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.951 0.405 . . . . 72.02 110.865 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -149.13 105.74 3.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 64.22 110.909 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.48 112.14 23.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 44.31 110.904 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.3 m -102.96 155.51 18.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 64.12 110.896 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.491 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 16.1 mt-10 -57.12 160.69 6.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 63.34 110.906 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.491 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.75 -11.26 11.82 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.658 -1.809 . . . . 54.53 112.327 -0.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -53.0 173.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.892 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -142.37 149.48 39.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 55.3 110.853 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.466 ' O ' HD13 ' A' ' 22' ' ' ILE . 42.5 t -98.66 92.33 5.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 70.4 110.868 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.466 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.4 mm -131.09 155.17 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 64.44 111.145 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.7 t70 56.06 22.43 5.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 62.21 110.846 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.35 4.75 70.08 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 30.23 112.506 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.7 t -124.43 170.45 10.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.806 0.336 . . . . 73.42 111.148 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -90.65 100.34 13.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 62.44 110.837 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -79.58 99.87 7.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 73.31 110.845 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -51.94 168.05 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 72.12 110.866 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -137.88 160.53 39.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 74.13 110.879 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.2 p -114.31 -50.98 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 71.32 110.86 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.04 160.52 66.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.675 0.75 . . . . 73.13 110.833 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 103.84 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.645 2.23 . . . . 65.22 112.336 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 70.44 110.904 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.841 0.353 . . . . 74.34 110.879 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -120.1 161.26 21.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 65.54 110.831 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.4 t -60.18 -67.84 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 63.31 110.88 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.36 -165.25 13.65 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 51.31 112.49 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -62.02 95.11 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 73.24 110.838 -179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.51 30.67 15.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 75.12 110.827 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 m -108.0 160.7 15.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.445 . . . . 51.03 110.899 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.6 mtt -132.74 154.25 81.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.583 0.706 . . . . 74.02 110.875 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 118.63 5.8 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.689 2.26 . . . . 74.35 112.317 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.71 83.05 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 52.35 110.889 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.68 63.77 4.45 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.771 -0.728 . . . . 62.05 112.47 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.66 12.59 74.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.731 . . . . 54.1 112.465 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mm-40 -119.82 -169.75 1.83 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.92 0.39 . . . . 72.41 110.877 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -149.11 105.35 3.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 64.44 110.86 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -95.4 112.2 23.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 33.32 110.848 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 m -102.86 155.82 18.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.465 . . . . 55.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 18.8 mt-10 -57.41 160.77 6.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 75.4 110.898 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.9 Cg_endo -69.75 -11.44 11.88 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.645 -1.815 . . . . 62.34 112.39 0.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.2 m-20 -52.81 173.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 74.34 110.889 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -142.16 149.21 39.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 70.12 110.886 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.484 ' O ' HD13 ' A' ' 22' ' ' ILE . 47.0 t -98.35 92.63 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 74.02 110.858 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.5 155.34 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 75.42 111.139 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.8 t70 55.9 22.61 5.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 64.11 110.858 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.1 5.0 69.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.719 -0.753 . . . . 64.44 112.464 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.59 170.54 10.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.82 0.343 . . . . 63.21 111.162 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -90.59 100.27 13.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.31 110.914 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.9 m-70 -79.61 98.66 7.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 62.11 110.844 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -52.88 168.24 0.13 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.195 -0.457 . . . . 40.13 110.866 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -138.03 151.7 48.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 64.35 110.827 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 77.6 p -104.12 120.67 41.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 55.25 110.872 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.0 m -119.41 160.55 41.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.669 0.747 . . . . 74.41 110.904 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 98.67 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.671 2.248 . . . . 71.4 112.336 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 2.6 m120 . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 72.33 110.914 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.854 0.359 . . . . 72.53 110.874 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -86.0 -178.43 6.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.111 -0.495 . . . . 62.15 110.893 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.7 t -110.17 -68.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 71.24 110.901 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.92 -164.07 11.76 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.744 -0.741 . . . . 71.35 112.523 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.0 m -62.15 95.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.378 . . . . 63.12 110.856 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 63.53 30.04 15.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 50.41 110.92 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 m -107.33 160.64 15.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 73.03 110.9 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.2 mtt -132.49 154.17 81.44 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.551 0.691 . . . . 64.4 110.857 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 118.7 5.84 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.665 2.243 . . . . 71.23 112.346 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.63 82.61 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 60.24 110.869 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.79 63.78 4.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.721 -0.752 . . . . 60.51 112.445 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.97 11.52 74.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 44.05 112.465 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -118.79 -169.59 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 75.31 110.883 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -149.34 106.18 3.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 52.12 110.877 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.1 t -96.44 112.1 23.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 63.12 110.873 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.6 m -102.71 155.79 18.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 52.23 110.899 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -57.4 160.81 6.51 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.669 0.747 . . . . 72.25 110.892 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.75 -11.43 11.87 Favored 'Cis proline' 0 C--N 1.342 0.193 0 C-N-CA 122.657 -1.809 . . . . 61.02 112.336 0.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -52.78 173.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.44 110.925 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.9 149.25 39.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 73.31 110.849 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.481 ' O ' HD13 ' A' ' 22' ' ' ILE . 47.0 t -98.4 92.6 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 72.23 110.937 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.481 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.54 155.27 41.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 75.11 111.132 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t0 56.0 22.64 5.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 54.05 110.881 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.97 5.08 69.2 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 71.22 112.517 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.68 170.47 10.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.788 0.327 . . . . 63.31 111.172 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.59 100.32 13.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 64.04 110.87 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -79.66 99.0 7.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 75.43 110.834 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -55.14 166.07 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 73.55 110.866 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -132.58 129.07 38.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 61.42 110.918 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.0 m -101.03 -74.32 0.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 71.45 110.881 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.1 p -131.64 160.53 67.02 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.651 0.739 . . . . 72.42 110.845 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -17.26 37.99 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 70.23 112.344 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 63.2 110.864 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.846 0.355 . . . . 74.2 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -108.79 155.59 20.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 64.02 110.831 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.8 t -64.98 -66.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 70.03 110.856 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.68 -165.65 17.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.73 -0.748 . . . . 53.14 112.483 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.7 p -62.24 95.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.915 0.388 . . . . 44.55 110.857 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 63.48 28.26 15.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 71.42 110.851 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.2 m -105.21 159.81 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 64.04 110.908 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.9 mtt -132.95 154.15 81.27 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.559 0.695 . . . . 63.43 110.88 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.84 120.51 7.27 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.7 2.266 . . . . 71.31 112.33 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -121.82 82.29 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 64.14 110.877 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 52.16 69.3 1.21 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 62.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 67.8 11.39 60.36 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.77 -0.729 . . . . 74.23 112.497 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -124.21 -169.92 2.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.928 0.394 . . . . 74.34 110.88 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -147.0 122.02 10.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 51.22 110.915 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -108.95 111.95 23.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 63.12 110.87 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.3 m -101.94 154.07 19.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.85 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 14.8 mt-10 -57.1 160.83 5.79 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.661 0.743 . . . . 73.22 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.3 Cg_endo -69.84 -11.21 11.99 Favored 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.706 -1.789 . . . . 64.53 112.316 0.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.6 m-20 -52.21 172.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 75.22 110.91 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.93 149.61 42.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 71.04 110.859 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.458 ' O ' HD13 ' A' ' 22' ' ' ILE . 32.1 t -98.74 92.47 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 63.33 110.894 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.458 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.14 155.23 41.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 61.44 111.117 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 t70 56.05 22.38 5.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 63.31 110.862 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.56 4.52 70.34 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.722 -0.751 . . . . 61.2 112.479 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.5 t -124.2 170.42 10.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.813 0.339 . . . . 75.45 111.155 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.8 t -90.58 100.31 13.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 61.32 110.921 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -79.68 97.81 6.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 63.44 110.823 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.81 168.2 0.21 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 63.11 110.883 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -132.69 121.08 22.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 62.01 110.885 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.8 t -156.94 145.51 19.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 73.3 110.791 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -111.94 160.62 29.18 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.703 0.764 . . . . 74.11 110.865 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 86.44 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.678 2.252 . . . . 53.01 112.309 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 72.22 110.894 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.814 0.34 . . . . 71.22 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -111.91 156.09 22.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 61.32 110.888 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.9 t -88.04 -64.76 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 65.43 110.805 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.79 -166.25 21.27 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.775 -0.726 . . . . 72.24 112.488 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.7 t -62.09 95.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.874 0.368 . . . . 75.42 110.867 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.1 t0 63.46 27.47 15.17 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.109 -0.496 . . . . 74.3 110.878 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.9 m -103.96 158.94 16.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 73.43 110.875 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 39.0 mmm -130.86 154.22 81.87 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.532 0.682 . . . . 71.33 110.903 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 120.88 7.6 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.682 2.254 . . . . 71.11 112.37 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.03 82.57 1.98 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 70.31 110.874 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.45 64.62 3.72 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 71.2 112.517 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.96 11.21 74.08 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 44.21 112.526 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -121.05 -169.56 1.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 72.12 110.844 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -148.43 115.34 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 63.34 110.881 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 t -104.98 113.18 26.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 45.41 110.891 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.2 m -103.47 154.36 19.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 34.54 110.874 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 15.8 mt-10 -56.85 160.66 5.57 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.658 0.742 . . . . 74.15 110.843 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.5 Cg_endo -69.8 -11.27 11.93 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.718 -1.784 . . . . 52.42 112.297 0.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -52.41 172.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 71.21 110.889 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -141.13 149.41 41.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 53.03 110.825 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.467 ' O ' HD13 ' A' ' 22' ' ' ILE . 38.9 t -98.65 92.51 5.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 75.22 110.878 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.3 155.31 41.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 74.41 111.149 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 t70 56.06 22.42 5.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 75.45 110.843 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.33 4.71 69.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.739 . . . . 15.41 112.473 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.0 t -124.36 170.76 10.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.342 . . . . 55.53 111.182 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.7 t -90.8 100.26 13.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 73.05 110.91 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.58 98.41 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 75.43 110.889 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.9 168.32 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 75.3 110.842 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -143.49 133.66 24.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 71.41 110.886 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.9 p -107.32 159.19 16.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 71.53 110.865 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -104.32 160.57 25.6 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.67 0.747 . . . . 74.11 110.871 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 175.43 8.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.659 2.24 . . . . 75.02 112.374 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.8 p30 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 71.02 110.885 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.855 0.36 . . . . 72.21 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -92.77 155.08 17.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 71.44 110.854 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.27 -66.48 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 63.53 110.909 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.89 -164.89 14.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.716 -0.754 . . . . 64.05 112.488 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.9 p -62.37 94.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.889 0.376 . . . . 75.12 110.837 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 63.42 26.91 15.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.114 -0.494 . . . . 74.13 110.886 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.2 m -103.49 160.06 15.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 72.24 110.869 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.8 mtt -133.12 154.04 81.07 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.589 0.709 . . . . 54.42 110.871 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 121.31 8.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.732 2.288 . . . . 63.52 112.324 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.35 82.83 2.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 64.41 110.89 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.88 72.16 0.56 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 75.32 112.476 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.56 13.76 56.1 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.752 -0.737 . . . . 51.55 112.448 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -127.97 -169.87 2.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 61.23 110.921 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.2 t -146.03 129.13 16.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 70.24 110.826 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -115.73 112.53 22.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 64.51 110.92 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 32.9 m -102.87 153.91 19.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 64.45 110.907 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.509 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -56.88 160.77 5.45 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.634 0.731 . . . . 72.12 110.907 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.8 Cg_endo -69.78 -11.18 11.86 Favored 'Cis proline' 0 C--N 1.342 0.184 0 C-N-CA 122.671 -1.804 . . . . 62.12 112.329 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -52.18 172.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 74.24 110.833 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.92 149.35 41.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 64.44 110.885 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.447 ' O ' HD13 ' A' ' 22' ' ' ILE . 30.6 t -98.69 92.29 5.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 31.2 110.851 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.447 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.5 mm -130.9 155.12 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 73.41 111.111 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 t70 56.08 22.29 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 53.41 110.903 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.63 4.74 71.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 52.2 112.468 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.62 169.86 11.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.812 0.339 . . . . 54.31 111.14 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.6 t -90.13 100.34 13.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 51.43 110.884 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -79.51 99.51 7.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 72.2 110.845 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -53.27 165.54 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 63.14 110.881 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -137.7 158.67 43.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 72.21 110.922 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.4 m -154.86 125.92 7.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 72.01 110.822 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.97 160.65 66.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.673 0.749 . . . . 53.25 110.868 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 169.08 19.8 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.653 2.235 . . . . 75.13 112.339 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.5 p30 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 64.55 110.857 179.974 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.842 0.353 . . . . 72.5 110.901 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -86.2 167.77 14.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 61.41 110.912 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.4 t -97.36 -64.14 1.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 55.24 110.851 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.44 -165.75 21.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 75.22 112.473 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 m -62.37 94.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 72.34 110.812 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.8 t0 63.64 27.33 14.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.494 . . . . 75.13 110.824 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.0 m -104.3 161.02 14.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 65.52 110.902 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 mtt -130.11 152.99 81.0 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.593 0.711 . . . . 64.32 110.861 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 131.22 20.85 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.692 2.261 . . . . 72.34 112.37 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.0 m -133.18 62.84 1.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.866 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 55.49 81.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 73.23 112.443 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.53 13.59 55.61 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.777 -0.725 . . . . 32.44 112.487 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -131.03 178.99 6.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.914 0.387 . . . . 74.31 110.853 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -147.68 117.64 7.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 53.4 110.844 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -105.78 113.2 26.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 74.04 110.868 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -102.86 154.39 19.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 72.52 110.882 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.503 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.5 OUTLIER -57.36 160.95 6.19 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.667 0.746 . . . . 64.24 110.913 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.3 Cg_endo -69.81 -11.22 11.94 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 -1.804 . . . . 71.12 112.304 0.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -52.13 172.17 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 73.44 110.915 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.37 149.38 42.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 71.4 110.849 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.458 ' O ' HD13 ' A' ' 22' ' ' ILE . 37.2 t -98.65 92.46 5.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 73.15 110.876 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.458 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.26 155.21 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.41 111.125 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.2 t0 55.95 22.58 5.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 63.31 110.852 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.17 4.99 69.9 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.743 -0.742 . . . . 51.22 112.525 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -124.63 170.29 11.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.842 0.353 . . . . 72.11 111.167 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.39 100.39 13.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 72.41 110.855 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -79.66 99.1 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 62.14 110.834 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -52.06 165.95 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.239 -0.437 . . . . 55.13 110.878 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 mm-40 -145.33 168.59 20.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.222 -0.445 . . . . 62.02 110.884 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 20.0 m -132.03 65.05 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 61.51 110.847 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.8 m -151.58 70.17 8.07 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.699 0.761 . . . . 72.13 110.827 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 145.23 56.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.244 . . . . 63.15 112.332 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 38.6 t30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.912 179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.883 0.373 . . . . 75.14 110.882 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -77.85 150.09 34.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 74.42 110.821 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.5 t -114.88 -65.53 1.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 73.45 110.9 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.31 -164.79 16.88 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.743 -0.742 . . . . 62.15 112.463 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 m -62.43 94.68 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.84 0.352 . . . . 65.01 110.857 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 63.77 26.15 14.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 3.1 m -103.44 162.37 13.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 61.3 110.823 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 5.3 mmt -130.77 152.88 81.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.516 0.674 . . . . 70.45 110.919 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 131.21 20.8 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.716 2.277 . . . . 70.54 112.349 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.7 m -133.16 62.63 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 73.44 110.85 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 55.45 81.22 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.751 -0.738 . . . . 72.2 112.46 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.59 13.61 55.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 64.12 112.502 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -131.24 179.07 6.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.936 0.398 . . . . 54.25 110.889 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -147.95 117.54 7.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 63.44 110.882 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.9 t -105.79 113.53 27.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 75.23 110.898 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 17.3 m -103.3 154.5 19.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 71.44 110.817 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 5.1 mt-10 -57.3 160.93 6.09 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.646 0.736 . . . . 54.04 110.894 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.6 Cg_endo -69.79 -11.18 11.89 Favored 'Cis proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 -1.792 . . . . 71.42 112.338 0.011 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -52.17 172.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 63.5 110.859 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.43 149.25 42.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 53.54 110.899 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.467 ' O ' HD13 ' A' ' 22' ' ' ILE . 37.0 t -98.52 92.48 5.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 63.21 110.867 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.467 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.4 mm -131.28 155.28 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 72.32 111.11 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 21.3 t70 56.01 22.44 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 71.32 110.881 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.18 4.98 69.94 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 41.4 112.491 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.5 170.51 10.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 72.4 111.14 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.5 t -90.59 100.37 13.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 63.34 110.856 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.69 98.48 6.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.133 -0.485 . . . . 75.42 110.853 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -52.0 167.66 0.11 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 62.41 110.867 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -146.49 127.32 14.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.853 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.2 t -87.88 -30.15 20.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 72.04 110.844 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.6 t 54.07 73.11 0.96 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.646 0.736 . . . . 73.34 110.913 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -28.17 25.35 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.634 2.223 . . . . 73.42 112.344 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 56.5 t-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 72.02 110.893 179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.861 0.362 . . . . 63.11 110.813 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -93.83 160.34 14.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 73.24 110.857 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.6 t -100.33 -64.13 1.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 73.4 110.898 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.95 -166.14 23.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 61.33 112.494 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 p -62.31 95.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 34.34 110.839 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 63.52 27.63 15.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.868 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.8 m -104.33 161.08 14.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 63.12 110.826 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.9 mtt -130.71 153.03 81.46 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.562 0.696 . . . . 64.51 110.868 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 130.73 19.81 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 74.44 112.296 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.9 m -132.77 65.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 61.22 110.902 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 53.71 80.26 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 52.25 112.484 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.41 13.81 55.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.687 -0.768 . . . . 54.52 112.493 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -132.18 173.44 11.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.917 0.389 . . . . 65.21 110.915 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.8 t -141.44 119.86 12.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 64.11 110.867 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.0 t -107.66 114.01 27.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 60.24 110.9 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.6 m -103.93 154.94 19.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 71.23 110.862 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 0.3 OUTLIER -57.37 160.88 6.3 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.619 0.723 . . . . 74.22 110.869 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.7 Cg_endo -69.7 -11.38 11.76 Favored 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.72 -1.783 . . . . 70.41 112.328 -0.034 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -52.21 172.46 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 64.41 110.892 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -140.61 149.26 42.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 54.21 110.814 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.489 ' O ' HD13 ' A' ' 22' ' ' ILE . 37.9 t -98.36 92.67 5.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 70.42 110.909 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.489 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.3 mm -131.68 155.36 41.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 74.21 111.134 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.6 t0 55.91 22.71 5.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.178 -0.465 . . . . 74.01 110.832 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.77 5.4 69.15 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 73.43 112.49 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.8 t -124.91 170.67 10.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.8 0.334 . . . . 73.42 111.132 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 5.4 t -90.61 100.35 13.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 73.44 110.879 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -79.8 97.8 6.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 75.01 110.851 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.93 168.3 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 73.41 110.844 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -144.79 118.15 9.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 53.53 110.895 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 62.9 p -115.5 51.89 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.889 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 p -177.49 160.61 1.39 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.691 0.757 . . . . 62.5 110.892 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -32.13 18.95 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.707 2.271 . . . . 74.11 112.31 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 53.1 t30 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 75.24 110.91 -179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.863 0.363 . . . . 64.54 110.862 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -63.59 177.15 0.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 74.42 110.87 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.8 t -64.24 -65.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 65.44 110.861 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.63 -163.91 13.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.735 -0.745 . . . . 64.22 112.5 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.6 m -62.45 94.64 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.85 0.357 . . . . 53.43 110.839 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.88 26.31 14.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.841 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 m -103.45 164.06 11.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 44.42 110.857 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 7.2 mtt -133.25 154.51 81.13 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.604 0.716 . . . . 75.13 110.864 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 120.33 7.13 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.672 2.248 . . . . 74.32 112.36 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -122.49 81.5 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.863 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.42 64.33 3.94 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 63.22 112.5 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.13 10.79 74.29 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 43.42 112.523 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -118.59 -169.57 1.74 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.857 0.36 . . . . 70.4 110.879 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.9 t -149.74 110.08 4.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 62.44 110.849 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.5 t -99.92 115.72 30.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 53.12 110.891 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.4 m -108.56 152.6 24.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 43.35 110.897 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.515 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 3.7 pt-20 -53.83 158.3 3.42 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.723 . . . . 71.1 110.895 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 54.0 Cg_endo -69.75 -12.04 12.06 Favored 'Cis proline' 0 C--N 1.341 0.165 0 C-N-CA 122.64 -1.817 . . . . 75.43 112.398 -0.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -52.47 172.22 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 55.35 110.878 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 m -142.43 149.53 39.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 61.51 110.88 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.426 ' O ' HD13 ' A' ' 22' ' ' ILE . 38.1 t -99.0 92.29 5.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 64.43 110.89 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.426 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.4 mm -130.46 155.2 41.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.13 111.129 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.7 t0 56.11 22.13 5.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.174 -0.466 . . . . 54.32 110.832 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.33 3.35 70.4 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 73.42 112.513 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.7 t -123.3 170.35 10.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.349 . . . . 71.33 111.148 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.7 t -90.71 100.32 13.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.441 . . . . 72.52 110.868 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -79.56 99.84 7.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 75.33 110.834 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -52.23 168.37 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 61.23 110.824 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -147.58 164.56 33.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 74.21 110.892 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 86.8 p -157.8 162.57 38.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 71.31 110.874 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -151.09 160.58 31.78 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.649 0.738 . . . . 64.55 110.807 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.48 1.57 Allowed 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.694 2.263 . . . . 74.31 112.332 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 74.21 110.855 -179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.857 0.361 . . . . 54.02 110.919 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -67.68 150.29 48.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 55.43 110.816 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.0 t -104.49 -68.07 0.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 72.54 110.867 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.88 -165.09 13.02 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.757 -0.735 . . . . 45.11 112.516 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -61.88 94.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.864 0.364 . . . . 72.54 110.892 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 63.68 32.43 13.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 54.22 110.852 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.7 m -110.4 163.4 13.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 70.3 110.898 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.1 mtp -133.24 154.48 81.12 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.542 0.687 . . . . 54.23 110.894 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 120.92 7.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.732 2.288 . . . . 71.43 112.333 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -123.76 82.18 1.99 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 54.33 110.881 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 51.71 63.72 4.49 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 51.42 112.48 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 71.97 10.56 73.1 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.771 -0.728 . . . . 63.25 112.458 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -117.78 -169.62 1.71 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.914 0.388 . . . . 72.12 110.866 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.0 t -149.65 110.23 4.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.877 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.6 t -100.42 115.28 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 64.42 110.846 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 19.1 m -107.96 152.32 24.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 33.04 110.869 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.504 ' HA ' ' C ' ' A' ' 18' ' ' PRO . 1.8 pt-20 -53.84 158.39 3.38 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.663 0.744 . . . . 71.14 110.886 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.504 ' C ' ' HA ' ' A' ' 17' ' ' GLU . 53.5 Cg_endo -69.75 -12.16 12.09 Favored 'Cis proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 -1.792 . . . . 70.51 112.324 0.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.6 m-20 -52.25 172.0 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 63.35 110.901 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 m -142.29 149.77 39.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 40.24 110.835 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.427 ' O ' HD13 ' A' ' 22' ' ' ILE . 49.4 t -99.1 92.36 5.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 72.15 110.904 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.427 HD13 ' O ' ' A' ' 21' ' ' CYS . 10.6 mm -130.61 155.03 41.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 73.42 111.084 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t0 56.24 22.09 5.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 71.21 110.83 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.36 3.25 70.22 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 74.34 112.468 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 t -123.2 170.06 10.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.807 0.337 . . . . 74.32 111.144 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 6.8 t -90.48 100.33 13.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 65.14 110.862 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 17.6 m-70 -79.5 99.57 7.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 75.21 110.843 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.67 168.21 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.15 110.845 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -142.95 119.11 10.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 44.44 110.891 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.4 p -134.74 177.38 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 63.55 110.834 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.04 160.6 0.12 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.713 0.768 . . . . 70.01 110.855 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 155.8 65.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.745 2.297 . . . . 75.34 112.313 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.892 179.954 . . . . . . . . 0 0 . 1 stop_ save_