data_2g57_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2g57 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.704 0.287 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.25 -9.87 59.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.34 10.14 4.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.2 t -117.06 -14.04 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.461 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 69.7 m -133.18 6.1 3.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -113.61 9.2 17.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -98.06 4.27 49.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 23' ' ' SER . 7.2 mt-30 -98.93 -43.55 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -81.5 23.21 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.123 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.436 ' HB3' ' NE2' ' A' ' 27' ' ' GLN . 5.2 pp0? -142.44 -18.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 t -92.3 -4.51 53.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.395 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -98.25 -4.36 35.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.987 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.3 mt -84.99 -7.92 58.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.983 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.881 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.6 mttp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.859 0.362 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.26 -4.87 44.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.02 12.81 4.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.434 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.8 t -128.71 -22.86 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.183 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.6 p -118.37 -7.15 10.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -106.36 11.5 30.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.361 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -97.87 -5.74 33.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.937 0.399 . . . . 0.0 110.99 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.4 -28.12 14.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.693 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -82.51 7.31 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -127.63 -13.12 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.736 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 m -94.18 -0.25 55.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.333 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -116.09 1.98 13.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.796 0.331 . . . . 0.0 111.056 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.7 mt -87.71 -3.03 58.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 pttm . . . . . 0 N--CA 1.46 0.026 0 CA-C-O 120.788 0.328 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.16 -4.91 58.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.02 8.11 4.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.258 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.22 -20.01 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.8 p -119.21 7.71 11.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.062 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -115.27 13.85 16.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.455 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.539 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -98.63 -7.7 27.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.809 0.337 . . . . 0.0 111.509 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.06 -20.04 18.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.074 0.464 . . . . 0.0 110.298 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' A' ' 27' ' ' GLN . 2.6 pt20 -81.68 15.02 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.164 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.539 ' NE2' ' HA ' ' A' ' 25' ' ' TRP . 12.3 pt20 -132.69 -31.84 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.514 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.6 m -85.92 10.74 13.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.568 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -115.53 -8.6 12.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.995 0.426 . . . . 0.0 110.567 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 77.9 mt -72.27 -11.39 60.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.521 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.707 179.923 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.88 4.74 52.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.06 6.47 2.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.5 -4.28 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t -133.28 -2.29 3.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.47 -14.69 37.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.394 . . . . 0.0 110.695 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.99 -6.54 59.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.59 -11.41 23.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.45 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -78.89 -0.48 30.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.961 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -122.39 -10.86 8.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.325 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.7 t -83.14 -19.07 37.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.196 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -96.93 -3.56 41.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.745 0.307 . . . . 0.0 111.007 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.8 mt -78.11 -5.03 50.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.985 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.825 0.345 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.03 1.7 42.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.74 4.24 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.5 t -136.02 6.44 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.266 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.3 t -137.88 -9.75 1.57 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.608 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -93.13 -4.61 51.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.804 0.335 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -96.73 -5.8 37.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.15 -25.09 13.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.508 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -81.42 9.55 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.738 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -139.49 -6.99 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.697 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 t -86.98 -10.37 53.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -104.74 -7.5 19.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -90.23 6.97 40.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.65 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 tptm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.776 0.322 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.27 -8.57 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.05 10.89 2.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.9 t -116.26 -15.37 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.977 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -120.6 1.56 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -105.58 -10.3 16.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.093 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -79.84 -10.49 59.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.095 0.474 . . . . 0.0 110.648 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -14.12 32.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.32 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -63.12 -7.08 4.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.705 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -125.1 -5.9 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.665 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.3 t -107.44 -5.79 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.372 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -94.62 -6.9 42.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 pp -98.28 -7.08 29.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.798 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.862 0.363 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.32 -3.57 46.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.21 12.94 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.436 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -138.33 -11.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 111.313 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.6 t -123.52 4.85 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.488 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -97.54 -2.55 41.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.926 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -84.88 -3.33 58.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.896 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.49 -25.69 14.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -86.3 7.57 24.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -127.73 -14.97 5.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.4 m -87.61 -8.33 56.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -103.21 -8.65 20.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.8 0.333 . . . . 0.0 110.725 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.13 -7.98 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.549 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.6 t70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.634 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.81 0.338 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.8 3.76 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.11 5.72 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.519 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -122.36 -14.71 6.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.742 0.306 . . . . 0.0 111.253 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.6 p -118.12 -3.13 11.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.91 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -97.02 12.41 32.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.317 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -105.19 -3.03 23.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.897 0.379 . . . . 0.0 110.799 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -88.29 -25.78 22.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.524 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -87.21 12.23 12.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -129.08 -15.42 4.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.579 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -84.92 -16.41 41.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.335 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -89.04 -3.16 58.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.341 . . . . 0.0 110.757 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.5 mt -79.23 -7.72 58.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.627 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.76 179.841 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.64 1.17 52.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.249 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.28 3.74 3.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.432 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.99 -13.01 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.586 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 m -134.8 -4.67 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.312 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -102.47 3.2 37.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.354 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -96.47 5.2 51.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 111.148 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -99.8 -39.52 8.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.18 19.75 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.293 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.57 -10.61 0.71 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.7 m -87.36 -15.66 37.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.142 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -96.56 -9.37 29.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.877 0.37 . . . . 0.0 111.126 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.9 mt -91.01 1.69 56.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm . . . . . 0 CA--C 1.525 -0.013 0 CA-C-O 120.74 0.305 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.67 -14.83 62.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.13 18.08 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.985 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.6 t -138.69 -15.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.269 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.2 p -113.67 6.58 16.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -100.3 7.8 44.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -107.92 -7.04 16.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.203 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.74 -26.03 13.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.579 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -79.81 13.22 2.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.559 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -144.03 -1.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.34 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 t -103.93 -7.82 20.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.182 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -94.2 -12.53 28.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 110.991 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pp -86.0 2.6 45.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.04 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.631 179.445 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -165.4 -40.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.704 0.287 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.25 -9.87 59.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.34 10.14 4.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.2 t -117.06 -14.04 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.461 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 69.7 m -133.18 6.1 3.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -113.61 9.2 17.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -98.06 4.27 49.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 23' ' ' SER . 7.2 mt-30 -98.93 -43.55 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -81.5 23.21 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.123 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.436 ' HB3' ' NE2' ' A' ' 27' ' ' GLN . 5.2 pp0? -142.44 -18.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 t -92.3 -4.51 53.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.395 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -98.25 -4.36 35.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.987 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.3 mt -84.99 -7.92 58.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.983 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -112.33 15.21 20.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.14 57.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.522 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.4 mt -87.39 89.23 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.758 0.314 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 58.31 13.39 2.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.142 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.69 3.74 59.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.327 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.74 15.58 8.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.7 t -128.37 10.35 6.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.1 m -108.01 -28.62 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.9 t -114.97 -4.79 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.221 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.518 ' N ' ' HD2' ' A' ' 44' ' ' PRO . . . -84.08 -50.88 0.62 Allowed Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.719 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.518 ' HD2' ' N ' ' A' ' 43' ' ' ALA . 36.6 Cg_endo -65.22 -81.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.104 1.87 . . . . 0.0 112.382 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 O-C-N 122.261 -0.274 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -148.12 -52.67 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.859 0.362 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.26 -4.87 44.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.02 12.81 4.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.434 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.8 t -128.71 -22.86 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.183 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.6 p -118.37 -7.15 10.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -106.36 11.5 30.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.361 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -97.87 -5.74 33.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.937 0.399 . . . . 0.0 110.99 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.4 -28.12 14.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.693 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -82.51 7.31 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -127.63 -13.12 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.736 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 m -94.18 -0.25 55.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.333 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -116.09 1.98 13.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.796 0.331 . . . . 0.0 111.056 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.7 mt -87.71 -3.03 58.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -110.89 8.62 22.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -136.01 -39.01 0.16 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.405 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.618 HG22 ' H ' ' A' ' 37' ' ' SEP . 31.7 mt -87.82 133.9 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.675 179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -73.77 5.12 4.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.095 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SEP . . . . . 0.618 ' H ' HG22 ' A' ' 35' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.71 21.24 1.48 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.344 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.56 0.99 56.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.684 0.278 . . . . 0.0 111.223 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.434 ' HB ' ' HB2' ' A' ' 44' ' ' PRO . 85.0 m -103.71 -49.26 3.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.966 0.412 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.405 ' H ' ' HD2' ' A' ' 44' ' ' PRO . 3.5 m -156.26 38.51 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.844 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.8 p 52.64 28.08 5.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.014 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.579 ' HB2' ' HD3' ' A' ' 44' ' ' PRO . . . -157.2 -51.0 0.01 OUTLIER Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.051 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.579 ' HD3' ' HB2' ' A' ' 43' ' ' ALA . 38.4 Cg_exo -60.28 -78.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.028 1.818 . . . . 0.0 112.143 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . 0.406 ' HN1' ' HB2' ' A' ' 44' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.315 0 O-C-N 122.41 -0.181 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -169.74 -35.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.788 0.328 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.16 -4.91 58.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.02 8.11 4.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.258 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.22 -20.01 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.8 p -119.21 7.71 11.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.062 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -115.27 13.85 16.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.455 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.539 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -98.63 -7.7 27.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.809 0.337 . . . . 0.0 111.509 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.06 -20.04 18.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.074 0.464 . . . . 0.0 110.298 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.401 HE21 ' HB3' ' A' ' 27' ' ' GLN . 2.6 pt20 -81.68 15.02 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.164 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.539 ' NE2' ' HA ' ' A' ' 25' ' ' TRP . 12.3 pt20 -132.69 -31.84 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.514 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.6 m -85.92 10.74 13.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.568 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -115.53 -8.6 12.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.995 0.426 . . . . 0.0 110.567 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 77.9 mt -72.27 -11.39 60.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.521 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -73.46 -74.3 0.18 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.707 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.14 -32.61 1.14 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.376 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.8 pt -112.83 129.27 68.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.143 0.497 . . . . 0.0 111.219 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -71.7 2.45 5.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.111 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.57 2.38 49.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.335 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.04 12.79 4.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.811 0.339 . . . . 0.0 111.206 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.4 m -112.15 -49.6 2.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -151.07 32.11 0.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.321 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m 64.97 11.63 7.21 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.597 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.83 77.18 0.47 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.269 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.4 ' HG2' ' HN1' ' A' ' 45' ' ' NH2 . 46.5 Cg_endo -69.44 -82.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.384 2.056 . . . . 0.0 112.321 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . 0.4 ' HN1' ' HG2' ' A' ' 44' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.295 0 O-C-N 122.374 -0.204 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -165.45 -38.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.88 4.74 52.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.06 6.47 2.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.5 -4.28 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t -133.28 -2.29 3.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.47 -14.69 37.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.394 . . . . 0.0 110.695 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.99 -6.54 59.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.59 -11.41 23.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.45 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -78.89 -0.48 30.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.961 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -122.39 -10.86 8.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.325 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.7 t -83.14 -19.07 37.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.196 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -96.93 -3.56 41.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.745 0.307 . . . . 0.0 111.007 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.8 mt -78.11 -5.03 50.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -99.24 -25.02 14.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.59 -51.49 0.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.625 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 35' ' ' ILE . 4.6 mp 55.75 74.35 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-O 120.963 0.411 . . . . 0.0 110.501 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -55.61 -17.42 5.57 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.43 -5.44 18.99 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.889 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.17 9.47 17.38 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.673 0.273 . . . . 0.0 111.247 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.8 m -114.57 -49.24 2.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.241 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.4 p -147.8 34.69 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.7 p 56.19 25.19 8.86 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.979 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 57.0 88.01 0.13 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.451 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.52 91.96 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.643 2.229 . . . . 0.0 112.237 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.76 -0.2 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -165.65 -40.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.03 1.7 42.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.74 4.24 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.5 t -136.02 6.44 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.266 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.3 t -137.88 -9.75 1.57 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.608 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -93.13 -4.61 51.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.804 0.335 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -96.73 -5.8 37.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.15 -25.09 13.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.508 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -81.42 9.55 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.738 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -139.49 -6.99 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.697 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 t -86.98 -10.37 53.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -104.74 -7.5 19.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -90.23 6.97 40.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -128.04 12.83 6.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.65 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.96 59.35 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.257 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mt -130.41 -37.77 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-O 121.465 0.65 . . . . 0.0 110.956 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -81.38 42.86 0.7 Allowed 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.487 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' A' ' 40' ' ' THR . . . 65.4 41.71 96.33 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.436 -1.065 . . . . 0.0 110.436 -178.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.546 ' HB2' ' HB3' ' A' ' 43' ' ' ALA . . . 71.68 -8.52 1.07 Allowed 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.152 -0.524 . . . . 0.0 110.222 -178.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.508 ' H ' ' C ' ' A' ' 38' ' ' GLY . 0.5 OUTLIER 77.92 2.05 2.86 Favored 'General case' 0 CA--C 1.52 -0.196 0 O-C-N 123.965 0.79 . . . . 0.0 109.985 179.298 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.414 HG21 ' O ' ' A' ' 40' ' ' THR . 0.0 OUTLIER 173.9 29.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.535 -1.212 . . . . 0.0 110.454 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.9 p 59.21 8.98 1.2 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.941 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.546 ' HB3' ' HB2' ' A' ' 39' ' ' ALA . . . 50.08 80.3 0.3 Allowed Pre-proline 0 CA--C 1.528 0.134 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.384 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.46 90.12 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.623 2.215 . . . . 0.0 112.139 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.789 -0.187 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -168.31 -38.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.776 0.322 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.27 -8.57 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.05 10.89 2.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.9 t -116.26 -15.37 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.977 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -120.6 1.56 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -105.58 -10.3 16.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.093 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -79.84 -10.49 59.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.095 0.474 . . . . 0.0 110.648 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -14.12 32.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.32 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -63.12 -7.08 4.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.705 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -125.1 -5.9 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.665 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.3 t -107.44 -5.79 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.372 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -94.62 -6.9 42.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 pp -98.28 -7.08 29.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -119.85 -4.26 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.89 3.21 45.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.543 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.7 pt -129.76 19.59 2.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.845 0.355 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 62.14 6.42 1.8 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.337 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.83 -6.53 4.97 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.711 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.85 5.02 14.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 0.0 110.968 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.5 m -121.14 -19.79 7.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.9 p -93.63 -26.46 17.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.312 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.6 p -94.43 8.55 41.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.223 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.548 ' HB2' ' HD3' ' A' ' 44' ' ' PRO . . . -62.25 -49.19 85.44 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.733 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' A' ' 43' ' ' ALA . 51.9 Cg_exo -54.37 -77.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.089 1.859 . . . . 0.0 112.363 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 O-C-N 122.404 -0.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -143.45 -55.53 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.32 -3.57 46.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.21 12.94 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.436 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -138.33 -11.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 111.313 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.6 t -123.52 4.85 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.488 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -97.54 -2.55 41.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.926 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -84.88 -3.33 58.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.896 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.49 -25.69 14.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -86.3 7.57 24.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -127.73 -14.97 5.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.4 m -87.61 -8.33 56.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -103.21 -8.65 20.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.8 0.333 . . . . 0.0 110.725 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.13 -7.98 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.549 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -147.16 91.44 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.634 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.57 -17.71 2.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.443 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.5 pt -111.75 8.57 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 111.214 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 58.43 10.99 1.5 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.298 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.17 4.25 6.81 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.764 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.8 15.7 28.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.765 0.317 . . . . 0.0 111.17 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.2 t -136.5 3.59 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.1 m -124.51 -45.08 1.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 t -133.56 87.42 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.59 ' HB1' ' HD3' ' A' ' 44' ' ' PRO . . . -171.06 -50.67 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.679 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.59 ' HD3' ' HB1' ' A' ' 43' ' ' ALA . 38.4 Cg_exo -60.48 93.04 0.1 OUTLIER 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.075 1.85 . . . . 0.0 112.209 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.648 -0.251 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -170.58 -33.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.8 3.76 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.11 5.72 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.519 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -122.36 -14.71 6.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.742 0.306 . . . . 0.0 111.253 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.6 p -118.12 -3.13 11.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.91 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -97.02 12.41 32.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.317 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -105.19 -3.03 23.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.897 0.379 . . . . 0.0 110.799 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -88.29 -25.78 22.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.524 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -87.21 12.23 12.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -129.08 -15.42 4.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.579 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -84.92 -16.41 41.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.335 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -89.04 -3.16 58.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.341 . . . . 0.0 110.757 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.5 mt -79.23 -7.72 58.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.627 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -136.27 96.47 3.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.76 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.69 -36.99 0.31 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.899 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.407 ' C ' ' H ' ' A' ' 37' ' ' SEP . 10.9 mm 58.66 32.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.125 0.488 . . . . 0.0 110.726 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 67.57 -2.85 1.22 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.502 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SEP . . . . . 0.407 ' H ' ' C ' ' A' ' 35' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.38 2.95 5.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.556 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.477 ' HA ' ' HG2' ' A' ' 44' ' ' PRO . . . -115.21 14.62 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 0.0 111.031 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 66.1 p -147.3 24.75 1.13 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.02 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.3 p -92.8 -30.23 15.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.332 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -142.56 31.22 1.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.542 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.626 ' N ' ' HD3' ' A' ' 44' ' ' PRO . . . 56.41 52.83 7.06 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.149 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.626 ' HD3' ' N ' ' A' ' 43' ' ' ALA . 17.4 Cg_exo -67.83 94.22 0.39 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.649 2.233 . . . . 0.0 112.052 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.702 -0.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -171.83 -36.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.64 1.17 52.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.249 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.28 3.74 3.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.432 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.99 -13.01 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.586 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 m -134.8 -4.67 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.312 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -102.47 3.2 37.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.354 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -96.47 5.2 51.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 111.148 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -99.8 -39.52 8.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.18 19.75 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.293 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.57 -10.61 0.71 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.7 m -87.36 -15.66 37.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.142 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -96.56 -9.37 29.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.877 0.37 . . . . 0.0 111.126 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.9 mt -91.01 1.69 56.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -125.25 27.62 6.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.19 43.38 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.715 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.3 pt -129.87 12.41 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 111.187 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 61.36 6.12 1.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.25 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.87 16.48 25.67 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.583 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.59 10.44 23.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.2 m -103.47 -35.0 8.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.547 HG22 ' HD3' ' A' ' 44' ' ' PRO . 5.2 t -169.53 26.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.295 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 m 66.02 9.03 5.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.463 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 46.99 76.02 0.6 Allowed Pre-proline 0 CA--C 1.53 0.19 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.502 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.547 ' HD3' HG22 ' A' ' 41' ' ' THR . 26.4 Cg_exo -62.95 95.24 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.692 2.262 . . . . 0.0 112.229 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.794 -0.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -144.5 -61.33 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.74 0.305 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.67 -14.83 62.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.13 18.08 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.985 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.6 t -138.69 -15.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.269 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.2 p -113.67 6.58 16.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -100.3 7.8 44.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -107.92 -7.04 16.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.203 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.74 -26.03 13.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.579 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -79.81 13.22 2.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.559 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -144.03 -1.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.34 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 t -103.93 -7.82 20.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.182 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -94.2 -12.53 28.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 110.991 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pp -86.0 2.6 45.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.04 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -134.1 11.66 3.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.631 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.414 ' O ' ' HB ' ' A' ' 35' ' ' ILE . . . -155.91 -53.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.763 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' A' ' 36' ' ' HIS . 81.0 mt 68.87 97.07 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-O 120.81 0.338 . . . . 0.0 110.531 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' HIS . . . . . 0.457 ' C ' ' H ' ' A' ' 38' ' ' GLY . 2.0 m-70 51.67 104.03 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.418 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 36' ' ' HIS . . . -99.96 -21.11 14.47 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.397 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' HB3' ' HB2' ' A' ' 36' ' ' HIS . . . -90.09 18.32 6.01 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 117.144 0.472 . . . . 0.0 111.015 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.5 t -127.3 -14.61 5.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.109 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.0 p -102.43 -11.37 18.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.242 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.9 t -91.38 7.93 38.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.245 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.497 ' N ' ' HD2' ' A' ' 44' ' ' PRO . . . -71.88 -51.03 9.09 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.581 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' A' ' 43' ' ' ALA . 45.3 Cg_endo -68.76 -80.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.027 1.818 . . . . 0.0 112.246 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' NH2 . . . . . 0.416 ' HN1' ' HG2' ' A' ' 44' ' ' PRO . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 122.329 -0.232 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.704 0.287 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.25 -9.87 59.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.34 10.14 4.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.2 t -117.06 -14.04 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.7 m -133.18 6.1 3.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -113.61 9.2 17.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -98.06 4.27 49.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -98.93 -43.55 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.5 23.21 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -142.44 -18.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 t -92.3 -4.51 53.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.395 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -98.25 -4.36 35.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.987 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.3 mt -84.99 -7.92 58.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.983 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.881 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.6 mttp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.859 0.362 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.26 -4.87 44.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.02 12.81 4.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.434 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.8 t -128.71 -22.86 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.183 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.6 p -118.37 -7.15 10.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -106.36 11.5 30.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.361 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -97.87 -5.74 33.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.937 0.399 . . . . 0.0 110.99 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -97.4 -28.12 14.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.693 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -82.51 7.31 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -127.63 -13.12 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.736 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 m -94.18 -0.25 55.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.333 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -116.09 1.98 13.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.796 0.331 . . . . 0.0 111.056 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.7 mt -87.71 -3.03 58.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 pttm . . . . . 0 N--CA 1.46 0.026 0 CA-C-O 120.788 0.328 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.16 -4.91 58.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.02 8.11 4.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.258 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.22 -20.01 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.8 p -119.21 7.71 11.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.062 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -115.27 13.85 16.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.455 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -98.63 -7.7 27.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.809 0.337 . . . . 0.0 111.509 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -97.06 -20.04 18.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.074 0.464 . . . . 0.0 110.298 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -81.68 15.02 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.164 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -132.69 -31.84 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.514 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.6 m -85.92 10.74 13.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.568 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -115.53 -8.6 12.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.995 0.426 . . . . 0.0 110.567 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 77.9 mt -72.27 -11.39 60.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.521 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.707 179.923 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.88 4.74 52.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.06 6.47 2.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.5 -4.28 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t -133.28 -2.29 3.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.47 -14.69 37.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.394 . . . . 0.0 110.695 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.99 -6.54 59.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -97.59 -11.41 23.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.45 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -78.89 -0.48 30.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.961 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -122.39 -10.86 8.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.325 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.7 t -83.14 -19.07 37.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.196 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -96.93 -3.56 41.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.745 0.307 . . . . 0.0 111.007 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.8 mt -78.11 -5.03 50.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.985 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.825 0.345 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.03 1.7 42.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.74 4.24 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 22' ' ' VAL . 3.5 t -136.02 6.44 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.266 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.3 t -137.88 -9.75 1.57 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.608 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -93.13 -4.61 51.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.804 0.335 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -96.73 -5.8 37.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.15 -25.09 13.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.508 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -81.42 9.55 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.738 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -139.49 -6.99 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.697 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 t -86.98 -10.37 53.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -104.74 -7.5 19.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -90.23 6.97 40.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.65 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 tptm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.776 0.322 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.27 -8.57 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.05 10.89 2.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.9 t -116.26 -15.37 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.977 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -120.6 1.56 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -105.58 -10.3 16.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.093 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -79.84 -10.49 59.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.095 0.474 . . . . 0.0 110.648 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.9 -14.12 32.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.32 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -63.12 -7.08 4.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.705 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -125.1 -5.9 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.665 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.3 t -107.44 -5.79 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.372 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -94.62 -6.9 42.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 pp -98.28 -7.08 29.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.798 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.862 0.363 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.32 -3.57 46.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.21 12.94 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.436 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -138.33 -11.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 111.313 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.6 t -123.52 4.85 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.488 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -97.54 -2.55 41.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.926 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -84.88 -3.33 58.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.896 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.49 -25.69 14.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -86.3 7.57 24.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -127.73 -14.97 5.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.4 m -87.61 -8.33 56.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -103.21 -8.65 20.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.8 0.333 . . . . 0.0 110.725 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.13 -7.98 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.549 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.6 t70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.634 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.81 0.338 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.8 3.76 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.11 5.72 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.519 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -122.36 -14.71 6.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.742 0.306 . . . . 0.0 111.253 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.6 p -118.12 -3.13 11.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.91 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -97.02 12.41 32.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.317 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -105.19 -3.03 23.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.897 0.379 . . . . 0.0 110.799 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -88.29 -25.78 22.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.524 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -87.21 12.23 12.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -129.08 -15.42 4.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.579 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -84.92 -16.41 41.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.335 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -89.04 -3.16 58.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.341 . . . . 0.0 110.757 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.5 mt -79.23 -7.72 58.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.627 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.76 179.841 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.64 1.17 52.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.249 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.28 3.74 3.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.432 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.99 -13.01 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.586 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 m -134.8 -4.67 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.312 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -102.47 3.2 37.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.354 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -96.47 5.2 51.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 111.148 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -99.8 -39.52 8.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.18 19.75 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.293 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.57 -10.61 0.71 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.7 m -87.36 -15.66 37.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.142 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -96.56 -9.37 29.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.877 0.37 . . . . 0.0 111.126 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.9 mt -91.01 1.69 56.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm . . . . . 0 CA--C 1.525 -0.013 0 CA-C-O 120.74 0.305 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.67 -14.83 62.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.13 18.08 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.985 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.6 t -138.69 -15.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.269 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.2 p -113.67 6.58 16.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -100.3 7.8 44.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -107.92 -7.04 16.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.203 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.74 -26.03 13.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.579 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -79.81 13.22 2.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.559 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -144.03 -1.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.34 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 t -103.93 -7.82 20.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.182 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -94.2 -12.53 28.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 110.991 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' H ' ' HG ' ' A' ' 31' ' ' LEU . 1.8 pp -86.0 2.6 45.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.631 179.445 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -165.4 -40.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.704 0.287 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.25 -9.87 59.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.34 10.14 4.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.2 t -117.06 -14.04 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 69.7 m -133.18 6.1 3.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -113.61 9.2 17.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -98.06 4.27 49.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -98.93 -43.55 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.5 23.21 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.123 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -142.44 -18.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.012 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 t -92.3 -4.51 53.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.395 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -98.25 -4.36 35.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.987 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.3 mt -84.99 -7.92 58.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.983 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -112.33 15.21 20.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.14 57.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.522 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.4 mt -87.39 89.23 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.758 0.314 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 58.31 13.39 2.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.142 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.69 3.74 59.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.327 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.74 15.58 8.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.7 t -128.37 10.35 6.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.1 m -108.01 -28.62 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.9 t -114.97 -4.79 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.221 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.531 ' N ' ' HD2' ' A' ' 44' ' ' PRO . . . -84.08 -50.88 0.62 Allowed Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.719 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 43' ' ' ALA . 36.6 Cg_endo -65.22 -81.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.104 1.87 . . . . 0.0 112.382 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 O-C-N 122.261 -0.274 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -148.12 -52.67 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.859 0.362 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.26 -4.87 44.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.02 12.81 4.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.434 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.8 t -128.71 -22.86 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.183 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.6 p -118.37 -7.15 10.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -106.36 11.5 30.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.361 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -97.87 -5.74 33.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.937 0.399 . . . . 0.0 110.99 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -97.4 -28.12 14.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.693 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -82.51 7.31 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -127.63 -13.12 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.736 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 m -94.18 -0.25 55.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.333 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -116.09 1.98 13.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.796 0.331 . . . . 0.0 111.056 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.7 mt -87.71 -3.03 58.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -110.89 8.62 22.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -136.01 -39.01 0.16 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.405 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.7 mt -87.82 133.9 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.675 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -73.77 5.12 4.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.095 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.71 21.24 1.48 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.344 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.56 0.99 56.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.684 0.278 . . . . 0.0 111.223 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.443 ' HB ' ' HB2' ' A' ' 44' ' ' PRO . 85.0 m -103.71 -49.26 3.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.966 0.412 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.471 ' H ' ' HD2' ' A' ' 44' ' ' PRO . 3.5 m -156.26 38.51 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.844 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.8 p 52.64 28.08 5.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.014 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.609 ' HB3' ' HD3' ' A' ' 44' ' ' PRO . . . -157.2 -51.0 0.01 OUTLIER Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.051 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 43' ' ' ALA . 38.4 Cg_exo -60.28 -78.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.028 1.818 . . . . 0.0 112.143 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 O-C-N 122.41 -0.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -169.74 -35.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.788 0.328 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.16 -4.91 58.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.02 8.11 4.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.258 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.22 -20.01 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.8 p -119.21 7.71 11.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.062 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -115.27 13.85 16.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.455 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -98.63 -7.7 27.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.809 0.337 . . . . 0.0 111.509 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -97.06 -20.04 18.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.074 0.464 . . . . 0.0 110.298 179.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -81.68 15.02 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.164 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -132.69 -31.84 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.514 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.6 m -85.92 10.74 13.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.568 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -115.53 -8.6 12.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.995 0.426 . . . . 0.0 110.567 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 77.9 mt -72.27 -11.39 60.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.521 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -73.46 -74.3 0.18 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.707 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.14 -32.61 1.14 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.376 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.8 pt -112.83 129.27 68.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.143 0.497 . . . . 0.0 111.219 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -71.7 2.45 5.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.111 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.57 2.38 49.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.335 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.04 12.79 4.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.811 0.339 . . . . 0.0 111.206 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.4 m -112.15 -49.6 2.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -151.07 32.11 0.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.321 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m 64.97 11.63 7.21 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.597 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.83 77.18 0.47 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.269 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -69.44 -82.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.384 2.056 . . . . 0.0 112.321 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 O-C-N 122.374 -0.204 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -165.45 -38.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.88 4.74 52.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.06 6.47 2.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.5 -4.28 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t -133.28 -2.29 3.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.47 -14.69 37.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.394 . . . . 0.0 110.695 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.99 -6.54 59.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -97.59 -11.41 23.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.45 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -78.89 -0.48 30.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.961 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -122.39 -10.86 8.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.325 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.7 t -83.14 -19.07 37.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.196 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -96.93 -3.56 41.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.745 0.307 . . . . 0.0 111.007 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.8 mt -78.11 -5.03 50.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -99.24 -25.02 14.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.59 -51.49 0.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.625 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 35' ' ' ILE . 4.6 mp 55.75 74.35 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-O 120.963 0.411 . . . . 0.0 110.501 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -55.61 -17.42 5.57 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.43 -5.44 18.99 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.889 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.17 9.47 17.38 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.673 0.273 . . . . 0.0 111.247 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.8 m -114.57 -49.24 2.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.241 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.4 p -147.8 34.69 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.7 p 56.19 25.19 8.86 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.979 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 57.0 88.01 0.13 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.451 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.52 91.96 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.643 2.229 . . . . 0.0 112.237 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.76 -0.2 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -165.65 -40.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.03 1.7 42.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.74 4.24 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 22' ' ' VAL . 3.5 t -136.02 6.44 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.266 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.3 t -137.88 -9.75 1.57 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.608 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -93.13 -4.61 51.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.804 0.335 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -96.73 -5.8 37.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.15 -25.09 13.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.508 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -81.42 9.55 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.738 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -139.49 -6.99 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.697 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 t -86.98 -10.37 53.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -104.74 -7.5 19.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -90.23 6.97 40.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -128.04 12.83 6.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.65 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.96 59.35 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.257 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mt -130.41 -37.77 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-O 121.465 0.65 . . . . 0.0 110.956 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -81.38 42.86 0.7 Allowed 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.487 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' A' ' 40' ' ' THR . . . 65.4 41.71 96.33 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.436 -1.065 . . . . 0.0 110.436 -178.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 43' ' ' ALA . . . 71.68 -8.52 1.07 Allowed 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.152 -0.524 . . . . 0.0 110.222 -178.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 39' ' ' ALA . 0.5 OUTLIER 77.92 2.05 2.86 Favored 'General case' 0 CA--C 1.52 -0.196 0 O-C-N 123.965 0.79 . . . . 0.0 109.985 179.298 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 40' ' ' THR . 0.0 OUTLIER 173.9 29.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.535 -1.212 . . . . 0.0 110.454 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.9 p 59.21 8.98 1.2 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.941 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.524 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . . . 50.08 80.3 0.3 Allowed Pre-proline 0 CA--C 1.528 0.134 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.384 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.46 90.12 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.623 2.215 . . . . 0.0 112.139 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.789 -0.187 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -168.31 -38.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.776 0.322 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.27 -8.57 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.05 10.89 2.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.9 t -116.26 -15.37 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.977 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -120.6 1.56 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -105.58 -10.3 16.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.093 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -79.84 -10.49 59.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.095 0.474 . . . . 0.0 110.648 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.9 -14.12 32.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.32 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -63.12 -7.08 4.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.705 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -125.1 -5.9 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.665 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.3 t -107.44 -5.79 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.372 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -94.62 -6.9 42.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 pp -98.28 -7.08 29.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -119.85 -4.26 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.89 3.21 45.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.543 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.421 ' HB ' ' HB3' ' A' ' 39' ' ' ALA . 21.7 pt -129.76 19.59 2.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.845 0.355 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 62.14 6.42 1.8 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.337 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.83 -6.53 4.97 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.711 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -79.85 5.02 14.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 0.0 110.968 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.5 m -121.14 -19.79 7.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.9 p -93.63 -26.46 17.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.312 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.6 p -94.43 8.55 41.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.223 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.567 ' HB3' ' HD3' ' A' ' 44' ' ' PRO . . . -62.25 -49.19 85.44 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.733 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' ' 43' ' ' ALA . 51.9 Cg_exo -54.37 -77.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.089 1.859 . . . . 0.0 112.363 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 O-C-N 122.404 -0.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -143.45 -55.53 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.32 -3.57 46.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.21 12.94 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.436 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -138.33 -11.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 111.313 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.6 t -123.52 4.85 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.488 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -97.54 -2.55 41.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.926 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -84.88 -3.33 58.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.896 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -99.49 -25.69 14.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -86.3 7.57 24.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -127.73 -14.97 5.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.4 m -87.61 -8.33 56.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -103.21 -8.65 20.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.8 0.333 . . . . 0.0 110.725 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.13 -7.98 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.549 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -147.16 91.44 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.634 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.57 -17.71 2.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.443 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.5 pt -111.75 8.57 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 111.214 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 15.5 m80 58.43 10.99 1.5 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.298 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.17 4.25 6.81 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.764 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.8 15.7 28.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.765 0.317 . . . . 0.0 111.17 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.2 t -136.5 3.59 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.1 m -124.51 -45.08 1.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 t -133.56 87.42 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.602 ' HB3' ' HD3' ' A' ' 44' ' ' PRO . . . -171.06 -50.67 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.679 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 43' ' ' ALA . 38.4 Cg_exo -60.48 93.04 0.1 OUTLIER 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.075 1.85 . . . . 0.0 112.209 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.648 -0.251 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -170.58 -33.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.8 3.76 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.11 5.72 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.519 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -122.36 -14.71 6.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.742 0.306 . . . . 0.0 111.253 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.6 p -118.12 -3.13 11.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.91 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -97.02 12.41 32.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.317 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -105.19 -3.03 23.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.897 0.379 . . . . 0.0 110.799 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -88.29 -25.78 22.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.524 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -87.21 12.23 12.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -129.08 -15.42 4.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.579 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -84.92 -16.41 41.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.335 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -89.04 -3.16 58.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.341 . . . . 0.0 110.757 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.5 mt -79.23 -7.72 58.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.627 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -136.27 96.47 3.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.76 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.69 -36.99 0.31 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.899 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.405 HG22 ' HB3' ' A' ' 39' ' ' ALA . 10.9 mm 58.66 32.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.125 0.488 . . . . 0.0 110.726 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 67.57 -2.85 1.22 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.502 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.38 2.95 5.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.556 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.496 ' HA ' ' HG2' ' A' ' 44' ' ' PRO . . . -115.21 14.62 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 0.0 111.031 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 66.1 p -147.3 24.75 1.13 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.02 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.3 p -92.8 -30.23 15.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.332 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -142.56 31.22 1.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.542 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.634 ' N ' ' HD3' ' A' ' 44' ' ' PRO . . . 56.41 52.83 7.06 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.149 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.634 ' HD3' ' N ' ' A' ' 43' ' ' ALA . 17.4 Cg_exo -67.83 94.22 0.39 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.649 2.233 . . . . 0.0 112.052 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.702 -0.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -171.83 -36.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.64 1.17 52.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.249 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.28 3.74 3.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.432 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.99 -13.01 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.586 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 m -134.8 -4.67 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.312 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -102.47 3.2 37.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.354 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -96.47 5.2 51.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 111.148 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -99.8 -39.52 8.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.18 19.75 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.293 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.57 -10.61 0.71 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.7 m -87.36 -15.66 37.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.142 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -96.56 -9.37 29.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.877 0.37 . . . . 0.0 111.126 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.9 mt -91.01 1.69 56.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -125.25 27.62 6.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.19 43.38 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.715 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.3 pt -129.87 12.41 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 111.187 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 26.0 m80 61.36 6.12 1.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.25 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.87 16.48 25.67 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.583 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.59 10.44 23.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.2 m -103.47 -35.0 8.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.645 HG23 ' HD3' ' A' ' 44' ' ' PRO . 5.2 t -169.53 26.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.295 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 m 66.02 9.03 5.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.463 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 46.99 76.02 0.6 Allowed Pre-proline 0 CA--C 1.53 0.19 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.502 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.645 ' HD3' HG23 ' A' ' 41' ' ' THR . 26.4 Cg_exo -62.95 95.24 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.692 2.262 . . . . 0.0 112.229 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.794 -0.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -144.5 -61.33 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.74 0.305 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.67 -14.83 62.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.13 18.08 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.985 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.6 t -138.69 -15.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.269 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.2 p -113.67 6.58 16.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -100.3 7.8 44.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -107.92 -7.04 16.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.203 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.74 -26.03 13.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.579 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -79.81 13.22 2.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.559 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -144.03 -1.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.34 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 t -103.93 -7.82 20.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.182 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -94.2 -12.53 28.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 110.991 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.425 ' H ' ' HG ' ' A' ' 31' ' ' LEU . 1.8 pp -86.0 2.6 45.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -134.1 11.66 3.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.631 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.413 ' O ' ' HB ' ' A' ' 35' ' ' ILE . . . -155.91 -53.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.763 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' A' ' 36' ' ' HIS . 81.0 mt 68.87 97.07 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-O 120.81 0.338 . . . . 0.0 110.531 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' HIS . . . . . 0.489 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . 2.0 m-70 51.67 104.03 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.418 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 36' ' ' HIS . . . -99.96 -21.11 14.47 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.397 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 36' ' ' HIS . . . -90.09 18.32 6.01 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 117.144 0.472 . . . . 0.0 111.015 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.5 t -127.3 -14.61 5.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.109 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.0 p -102.43 -11.37 18.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.242 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.9 t -91.38 7.93 38.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.245 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.511 ' N ' ' HD2' ' A' ' 44' ' ' PRO . . . -71.88 -51.03 9.09 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.581 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 43' ' ' ALA . 45.3 Cg_endo -68.76 -80.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.027 1.818 . . . . 0.0 112.246 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 122.329 -0.232 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.704 0.287 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.25 -9.87 59.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.34 10.14 4.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.2 t -117.06 -14.04 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.474 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 69.7 m -133.18 6.1 3.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -113.61 9.2 17.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -98.06 4.27 49.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.474 ' NE2' ' HA ' ' A' ' 23' ' ' SER . 7.2 mt-30 -98.93 -43.55 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.453 HE22 ' HB3' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -81.5 23.21 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.123 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.453 ' HB3' HE22 ' A' ' 27' ' ' GLN . 5.2 pp0? -142.44 -18.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 t -92.3 -4.51 53.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.395 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -98.25 -4.36 35.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.987 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.3 mt -84.99 -7.92 58.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.983 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.881 -179.978 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.6 mttp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.859 0.362 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.26 -4.87 44.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.02 12.81 4.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.434 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.8 t -128.71 -22.86 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.183 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.6 p -118.37 -7.15 10.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -106.36 11.5 30.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.361 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -97.87 -5.74 33.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.937 0.399 . . . . 0.0 110.99 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.4 -28.12 14.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.693 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -82.51 7.31 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -127.63 -13.12 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.736 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 m -94.18 -0.25 55.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.333 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -116.09 1.98 13.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.796 0.331 . . . . 0.0 111.056 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.7 mt -87.71 -3.03 58.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 179.942 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 pttm . . . . . 0 N--CA 1.46 0.026 0 CA-C-O 120.788 0.328 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.16 -4.91 58.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.02 8.11 4.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.258 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.22 -20.01 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.8 p -119.21 7.71 11.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.062 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -115.27 13.85 16.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.455 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.55 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -98.63 -7.7 27.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.809 0.337 . . . . 0.0 111.509 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.06 -20.04 18.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.074 0.464 . . . . 0.0 110.298 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -81.68 15.02 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.164 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.55 ' NE2' ' HA ' ' A' ' 25' ' ' TRP . 12.3 pt20 -132.69 -31.84 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.514 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.6 m -85.92 10.74 13.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.568 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -115.53 -8.6 12.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.995 0.426 . . . . 0.0 110.567 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 77.9 mt -72.27 -11.39 60.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.521 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.707 179.923 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.88 4.74 52.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.06 6.47 2.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.5 -4.28 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t -133.28 -2.29 3.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.47 -14.69 37.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.394 . . . . 0.0 110.695 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.99 -6.54 59.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.59 -11.41 23.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.45 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -78.89 -0.48 30.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.961 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -122.39 -10.86 8.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.325 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.7 t -83.14 -19.07 37.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.196 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -96.93 -3.56 41.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.745 0.307 . . . . 0.0 111.007 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.8 mt -78.11 -5.03 50.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.985 -179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.825 0.345 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.03 1.7 42.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.74 4.24 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 22' ' ' VAL . 3.5 t -136.02 6.44 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.266 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.3 t -137.88 -9.75 1.57 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.608 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -93.13 -4.61 51.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.804 0.335 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -96.73 -5.8 37.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.15 -25.09 13.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.508 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -81.42 9.55 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.738 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -139.49 -6.99 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.697 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 t -86.98 -10.37 53.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -104.74 -7.5 19.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -90.23 6.97 40.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.65 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 tptm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.776 0.322 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.27 -8.57 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.05 10.89 2.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.9 t -116.26 -15.37 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.977 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -120.6 1.56 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -105.58 -10.3 16.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.093 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -79.84 -10.49 59.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.095 0.474 . . . . 0.0 110.648 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -14.12 32.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.32 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -63.12 -7.08 4.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.705 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -125.1 -5.9 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.665 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.3 t -107.44 -5.79 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.372 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -94.62 -6.9 42.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 pp -98.28 -7.08 29.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 p30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.798 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.862 0.363 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.32 -3.57 46.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.21 12.94 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.436 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -138.33 -11.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 111.313 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.6 t -123.52 4.85 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.488 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -97.54 -2.55 41.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.926 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -84.88 -3.33 58.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.896 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.49 -25.69 14.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -86.3 7.57 24.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -127.73 -14.97 5.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.4 m -87.61 -8.33 56.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -103.21 -8.65 20.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.8 0.333 . . . . 0.0 110.725 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.13 -7.98 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.549 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.6 t70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.634 179.926 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.81 0.338 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.8 3.76 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.11 5.72 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.519 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -122.36 -14.71 6.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.742 0.306 . . . . 0.0 111.253 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.6 p -118.12 -3.13 11.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.91 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -97.02 12.41 32.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.317 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -105.19 -3.03 23.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.897 0.379 . . . . 0.0 110.799 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -88.29 -25.78 22.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.524 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -87.21 12.23 12.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -129.08 -15.42 4.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.579 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -84.92 -16.41 41.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.335 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -89.04 -3.16 58.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.341 . . . . 0.0 110.757 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.5 mt -79.23 -7.72 58.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.627 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.76 179.841 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.64 1.17 52.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.249 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.28 3.74 3.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.432 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.99 -13.01 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.586 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 m -134.8 -4.67 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.312 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -102.47 3.2 37.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.354 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -96.47 5.2 51.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 111.148 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.457 HE21 ' HB2' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -99.8 -39.52 8.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.18 19.75 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.293 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.57 -10.61 0.71 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.7 m -87.36 -15.66 37.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.142 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -96.56 -9.37 29.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.877 0.37 . . . . 0.0 111.126 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.9 mt -91.01 1.69 56.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.93 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm . . . . . 0 CA--C 1.525 -0.013 0 CA-C-O 120.74 0.305 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.67 -14.83 62.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.13 18.08 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.985 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.6 t -138.69 -15.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.269 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.2 p -113.67 6.58 16.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -100.3 7.8 44.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -107.92 -7.04 16.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.203 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.74 -26.03 13.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.579 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -79.81 13.22 2.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.559 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -144.03 -1.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.34 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 t -103.93 -7.82 20.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.182 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -94.2 -12.53 28.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 110.991 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.425 ' H ' ' HG ' ' A' ' 31' ' ' LEU . 1.8 pp -86.0 2.6 45.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.631 179.445 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 tppp? -165.4 -40.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.704 0.287 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.25 -9.87 59.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.34 10.14 4.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.012 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.2 t -117.06 -14.04 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.474 ' HA ' ' NE2' ' A' ' 26' ' ' GLN . 69.7 m -133.18 6.1 3.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -113.61 9.2 17.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -98.06 4.27 49.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.474 ' NE2' ' HA ' ' A' ' 23' ' ' SER . 7.2 mt-30 -98.93 -43.55 6.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.814 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.453 HE22 ' HB3' ' A' ' 28' ' ' GLN . 0.9 OUTLIER -81.5 23.21 0.65 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.123 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.453 ' HB3' HE22 ' A' ' 27' ' ' GLN . 5.2 pp0? -142.44 -18.65 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.9 t -92.3 -4.51 53.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.395 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.6 p90 -98.25 -4.36 35.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.987 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 97.3 mt -84.99 -7.92 58.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.983 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -112.33 15.21 20.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 141.14 57.32 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.522 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 57.4 mt -87.39 89.23 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.758 0.314 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 58.31 13.39 2.37 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.142 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.69 3.74 59.25 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.327 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.74 15.58 8.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 0.0 111.124 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.7 t -128.37 10.35 6.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.018 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.1 m -108.01 -28.62 9.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.083 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.9 t -114.97 -4.79 12.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.221 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.531 ' N ' ' HD2' ' A' ' 44' ' ' PRO . . . -84.08 -50.88 0.62 Allowed Pre-proline 0 CA--C 1.533 0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.719 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 43' ' ' ALA . 36.6 Cg_endo -65.22 -81.69 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 122.104 1.87 . . . . 0.0 112.382 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 O-C-N 122.261 -0.274 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.16 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -148.12 -52.67 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.859 0.362 . . . . 0.0 110.811 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.26 -4.87 44.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.02 12.81 4.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.434 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 41.8 t -128.71 -22.86 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.183 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.6 p -118.37 -7.15 10.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.088 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -106.36 11.5 30.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.361 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -97.87 -5.74 33.92 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.937 0.399 . . . . 0.0 110.99 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.4 -28.12 14.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.693 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -82.51 7.31 14.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -127.63 -13.12 5.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.736 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.3 m -94.18 -0.25 55.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.333 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -116.09 1.98 13.32 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.796 0.331 . . . . 0.0 111.056 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 84.7 mt -87.71 -3.03 58.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -110.89 8.62 22.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -136.01 -39.01 0.16 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.405 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 31.7 mt -87.82 133.9 29.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 110.675 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -73.77 5.12 4.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.095 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.71 21.24 1.48 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.344 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.56 0.99 56.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.684 0.278 . . . . 0.0 111.223 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.443 ' HB ' ' HB2' ' A' ' 44' ' ' PRO . 85.0 m -103.71 -49.26 3.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.966 0.412 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.471 ' H ' ' HD2' ' A' ' 44' ' ' PRO . 3.5 m -156.26 38.51 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.844 179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 52.8 p 52.64 28.08 5.82 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.014 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.609 ' HB3' ' HD3' ' A' ' 44' ' ' PRO . . . -157.2 -51.0 0.01 OUTLIER Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 112.051 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' ' 43' ' ' ALA . 38.4 Cg_exo -60.28 -78.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 122.028 1.818 . . . . 0.0 112.143 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 O-C-N 122.41 -0.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -169.74 -35.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.788 0.328 . . . . 0.0 110.822 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.16 -4.91 58.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.042 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.02 8.11 4.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.258 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 21.3 t -118.22 -20.01 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.953 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 96.8 p -119.21 7.71 11.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.062 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -115.27 13.85 16.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.455 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.55 ' HA ' ' NE2' ' A' ' 28' ' ' GLN . 0.3 OUTLIER -98.63 -7.7 27.58 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.809 0.337 . . . . 0.0 111.509 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.06 -20.04 18.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.074 0.464 . . . . 0.0 110.298 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -81.68 15.02 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.164 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.55 ' NE2' ' HA ' ' A' ' 25' ' ' TRP . 12.3 pt20 -132.69 -31.84 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.514 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.6 m -85.92 10.74 13.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.568 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -115.53 -8.6 12.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.995 0.426 . . . . 0.0 110.567 179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 77.9 mt -72.27 -11.39 60.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.521 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -73.46 -74.3 0.18 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.707 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.14 -32.61 1.14 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.376 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 14.8 pt -112.83 129.27 68.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 121.143 0.497 . . . . 0.0 111.219 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -71.7 2.45 5.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.111 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.57 2.38 49.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.335 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -83.04 12.79 4.59 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.811 0.339 . . . . 0.0 111.206 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.4 m -112.15 -49.6 2.96 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -151.07 32.11 0.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.321 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.9 m 64.97 11.63 7.21 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.597 -179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 51.83 77.18 0.47 Allowed Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.269 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -69.44 -82.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.384 2.056 . . . . 0.0 112.321 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 O-C-N 122.374 -0.204 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -165.45 -38.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.521 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -91.88 4.74 52.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.06 6.47 2.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.073 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.4 p -137.5 -4.28 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 t -133.28 -2.29 3.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.47 -14.69 37.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.394 . . . . 0.0 110.695 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -82.99 -6.54 59.53 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.59 -11.41 23.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.45 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -78.89 -0.48 30.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.961 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -122.39 -10.86 8.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.325 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.7 t -83.14 -19.07 37.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.196 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -96.93 -3.56 41.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.745 0.307 . . . . 0.0 111.007 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 87.8 mt -78.11 -5.03 50.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.828 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -99.24 -25.02 14.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 119.59 -51.49 0.76 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.625 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 35' ' ' ILE . 4.6 mp 55.75 74.35 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-O 120.963 0.411 . . . . 0.0 110.501 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -55.61 -17.42 5.57 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.43 -5.44 18.99 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.889 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.17 9.47 17.38 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.673 0.273 . . . . 0.0 111.247 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 91.8 m -114.57 -49.24 2.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.241 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.4 p -147.8 34.69 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.323 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.7 p 56.19 25.19 8.86 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.979 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 57.0 88.01 0.13 Allowed Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.451 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.52 91.96 0.35 Allowed 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.643 2.229 . . . . 0.0 112.237 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.76 -0.2 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.079 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -165.65 -40.85 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 0.0 110.598 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.03 1.7 42.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.74 4.24 1.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.263 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.407 ' O ' HG12 ' A' ' 22' ' ' VAL . 3.5 t -136.02 6.44 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.266 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.3 t -137.88 -9.75 1.57 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.569 -0.287 . . . . 0.0 111.608 -179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -93.13 -4.61 51.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.804 0.335 . . . . 0.0 110.934 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -96.73 -5.8 37.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.094 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.15 -25.09 13.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.508 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -81.42 9.55 7.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.738 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -139.49 -6.99 1.32 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.697 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.7 t -86.98 -10.37 53.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.136 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 12.3 p90 -104.74 -7.5 19.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.856 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.9 mt -90.23 6.97 40.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.953 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -128.04 12.83 6.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.65 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 117.96 59.35 0.29 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.257 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 7.4 mt -130.41 -37.77 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.455 0 CA-C-O 121.465 0.65 . . . . 0.0 110.956 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 55.8 m-70 -81.38 42.86 0.7 Allowed 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 114.766 -1.106 . . . . 0.0 109.487 178.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.474 ' C ' ' H ' ' A' ' 40' ' ' THR . . . 65.4 41.71 96.33 Favored Glycine 0 N--CA 1.446 -0.637 0 N-CA-C 110.436 -1.065 . . . . 0.0 110.436 -178.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 43' ' ' ALA . . . 71.68 -8.52 1.07 Allowed 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 115.152 -0.524 . . . . 0.0 110.222 -178.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 39' ' ' ALA . 0.5 OUTLIER 77.92 2.05 2.86 Favored 'General case' 0 CA--C 1.52 -0.196 0 O-C-N 123.965 0.79 . . . . 0.0 109.985 179.298 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 40' ' ' THR . 0.0 OUTLIER 173.9 29.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 114.535 -1.212 . . . . 0.0 110.454 -179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.9 p 59.21 8.98 1.2 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.941 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.524 ' HB2' ' HB1' ' A' ' 39' ' ' ALA . . . 50.08 80.3 0.3 Allowed Pre-proline 0 CA--C 1.528 0.134 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.384 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -64.46 90.12 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.623 2.215 . . . . 0.0 112.139 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 116.789 -0.187 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -168.31 -38.08 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.776 0.322 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.27 -8.57 59.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.05 10.89 2.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 36.9 t -116.26 -15.37 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.977 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 86.9 p -120.6 1.56 10.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -105.58 -10.3 16.92 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.093 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -79.84 -10.49 59.79 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.095 0.474 . . . . 0.0 110.648 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.9 -14.12 32.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.32 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 75.3 mm-40 -63.12 -7.08 4.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.705 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -125.1 -5.9 7.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.665 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.3 t -107.44 -5.79 17.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.372 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.3 p90 -94.62 -6.9 42.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.36 . . . . 0.0 110.888 -179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 pp -98.28 -7.08 29.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.176 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -119.85 -4.26 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -103.89 3.21 45.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.543 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.421 ' HB ' ' HB3' ' A' ' 39' ' ' ALA . 21.7 pt -129.76 19.59 2.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.845 0.355 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 62.14 6.42 1.8 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.337 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.83 -6.53 4.97 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.711 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.421 ' HB3' ' HB ' ' A' ' 35' ' ' ILE . . . -79.85 5.02 14.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.87 0.367 . . . . 0.0 110.968 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.5 m -121.14 -19.79 7.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.9 p -93.63 -26.46 17.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.312 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.6 p -94.43 8.55 41.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.223 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.567 ' HB3' ' HD3' ' A' ' 44' ' ' PRO . . . -62.25 -49.19 85.44 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.733 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.567 ' HD3' ' HB3' ' A' ' 43' ' ' ALA . 51.9 Cg_exo -54.37 -77.21 0.02 OUTLIER 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.089 1.859 . . . . 0.0 112.363 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 O-C-N 122.404 -0.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -143.45 -55.53 0.39 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.32 -3.57 46.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.21 12.94 5.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.436 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.0 t -138.33 -11.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.862 0.363 . . . . 0.0 111.313 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 34.6 t -123.52 4.85 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.488 -179.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -97.54 -2.55 41.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.926 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -84.88 -3.33 58.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.896 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.49 -25.69 14.36 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.869 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -86.3 7.57 24.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -127.73 -14.97 5.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 75.4 m -87.61 -8.33 56.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -103.21 -8.65 20.23 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.8 0.333 . . . . 0.0 110.725 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.13 -7.98 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.549 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -147.16 91.44 1.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.634 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 143.57 -17.71 2.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.443 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 23.5 pt -111.75 8.57 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 111.214 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 58.43 10.99 1.5 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.298 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.17 4.25 6.81 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.764 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -102.8 15.7 28.61 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.765 0.317 . . . . 0.0 111.17 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 10.2 t -136.5 3.59 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 37.1 m -124.51 -45.08 1.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.017 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.5 t -133.56 87.42 2.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.602 ' HB3' ' HD3' ' A' ' 44' ' ' PRO . . . -171.06 -50.67 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.679 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.602 ' HD3' ' HB3' ' A' ' 43' ' ' ALA . 38.4 Cg_exo -60.48 93.04 0.1 OUTLIER 'Trans proline' 0 C--N 1.354 0.843 0 C-N-CA 122.075 1.85 . . . . 0.0 112.209 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.648 -0.251 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -170.58 -33.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.81 0.338 . . . . 0.0 110.842 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -92.8 3.76 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.11 5.72 1.92 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.519 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 8.8 p -122.36 -14.71 6.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.742 0.306 . . . . 0.0 111.253 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.6 p -118.12 -3.13 11.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.91 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -97.02 12.41 32.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.317 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -105.19 -3.03 23.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.897 0.379 . . . . 0.0 110.799 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -88.29 -25.78 22.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.524 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? -87.21 12.23 12.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.824 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -129.08 -15.42 4.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.579 179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 46.6 t -84.92 -16.41 41.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.335 -179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -89.04 -3.16 58.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.341 . . . . 0.0 110.757 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 89.5 mt -79.23 -7.72 58.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.627 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -136.27 96.47 3.38 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.76 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 163.69 -36.99 0.31 Allowed Glycine 0 C--N 1.331 0.273 0 C-N-CA 120.479 -0.867 . . . . 0.0 112.899 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.405 HG22 ' HB3' ' A' ' 39' ' ' ALA . 10.9 mm 58.66 32.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.125 0.488 . . . . 0.0 110.726 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 67.57 -2.85 1.22 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.502 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.38 2.95 5.44 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.556 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.496 ' HA ' ' HG2' ' A' ' 44' ' ' PRO . . . -115.21 14.62 16.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.83 0.348 . . . . 0.0 111.031 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 66.1 p -147.3 24.75 1.13 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.02 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 45.3 p -92.8 -30.23 15.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.332 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m -142.56 31.22 1.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.542 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.634 ' N ' ' HD3' ' A' ' 44' ' ' PRO . . . 56.41 52.83 7.06 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.149 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.634 ' HD3' ' N ' ' A' ' 43' ' ' ALA . 17.4 Cg_exo -67.83 94.22 0.39 Allowed 'Trans proline' 0 C--N 1.351 0.66 0 C-N-CA 122.649 2.233 . . . . 0.0 112.052 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.702 -0.226 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -171.83 -36.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.868 0.366 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.64 1.17 52.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.249 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.28 3.74 3.98 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.432 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.99 -13.01 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.586 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.8 m -134.8 -4.67 2.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.312 -179.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -102.47 3.2 37.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.354 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -96.47 5.2 51.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 0.0 111.148 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.457 HE21 ' HB2' ' A' ' 26' ' ' GLN . 0.9 OUTLIER -99.8 -39.52 8.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.18 19.75 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.293 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.57 -10.61 0.71 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.24 179.519 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.7 m -87.36 -15.66 37.23 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.142 179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.3 p90 -96.56 -9.37 29.6 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.877 0.37 . . . . 0.0 111.126 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 91.9 mt -91.01 1.69 56.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.951 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -125.25 27.62 6.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.533 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 172.19 43.38 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.715 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.3 pt -129.87 12.41 2.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 111.187 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 61.36 6.12 1.33 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.25 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.87 16.48 25.67 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.583 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.59 10.44 23.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 0.0 111.144 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.2 m -103.47 -35.0 8.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.145 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.645 HG23 ' HD3' ' A' ' 44' ' ' PRO . 5.2 t -169.53 26.95 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.295 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.3 m 66.02 9.03 5.86 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.641 -0.708 . . . . 0.0 110.463 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . 46.99 76.02 0.6 Allowed Pre-proline 0 CA--C 1.53 0.19 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.502 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.645 ' HD3' HG23 ' A' ' 41' ' ' THR . 26.4 Cg_exo -62.95 95.24 0.16 Allowed 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.692 2.262 . . . . 0.0 112.229 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.794 -0.184 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.154 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -144.5 -61.33 0.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.74 0.305 . . . . 0.0 111.076 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.67 -14.83 62.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.13 18.08 13.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.985 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 22.6 t -138.69 -15.6 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.269 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 83.2 p -113.67 6.58 16.94 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.052 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -100.3 7.8 44.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -107.92 -7.04 16.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.203 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.74 -26.03 13.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.579 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -79.81 13.22 2.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.559 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -144.03 -1.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.34 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.9 t -103.93 -7.82 20.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.182 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.3 p90 -94.2 -12.53 28.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 0.0 110.991 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.425 ' H ' ' HG ' ' A' ' 31' ' ' LEU . 1.8 pp -86.0 2.6 45.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.04 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -134.1 11.66 3.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.631 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.413 ' O ' ' HB ' ' A' ' 35' ' ' ILE . . . -155.91 -53.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.763 -179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.44 ' O ' ' O ' ' A' ' 36' ' ' HIS . 81.0 mt 68.87 97.07 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.6 0 CA-C-O 120.81 0.338 . . . . 0.0 110.531 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' HIS . . . . . 0.489 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . 2.0 m-70 51.67 104.03 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.418 -178.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SEP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 36' ' ' HIS . . . -99.96 -21.11 14.47 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.397 178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.489 ' HB3' ' HB2' ' A' ' 36' ' ' HIS . . . -90.09 18.32 6.01 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 117.144 0.472 . . . . 0.0 111.015 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 5.5 t -127.3 -14.61 5.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.109 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 82.0 p -102.43 -11.37 18.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.242 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.9 t -91.38 7.93 38.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.245 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.511 ' N ' ' HD2' ' A' ' 44' ' ' PRO . . . -71.88 -51.03 9.09 Favored Pre-proline 0 CA--C 1.533 0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.581 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.511 ' HD2' ' N ' ' A' ' 43' ' ' ALA . 45.3 Cg_endo -68.76 -80.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 122.027 1.818 . . . . 0.0 112.246 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 122.329 -0.232 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_