data_6uco_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6uco _Structure_validation_residue.Date_analyzed 2020-06-19 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 ' 5' ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 109.734 -0.469 . . . . 0.17 109.734 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 t -95.12 18.21 12.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 2.01 110.893 -176.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.0 t90 . . . . . 0 C--O 1.237 0.412 0 N-CA-C 109.745 -0.465 . . . . 0.57 109.745 179.21 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.291 0 N-CA-C 112.382 0.512 . . . . 0.36 112.382 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.4 t -77.8 -67.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.47 -0.332 . . . . 0.23 110.154 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 62.74 65.71 2.98 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 114.183 0.433 . . . . 0.5 114.183 174.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -120.72 139.08 53.58 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.065 -0.346 . . . . 2.76 110.065 172.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -110.23 141.94 42.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.93 0.395 . . . . 3.45 111.247 -172.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -135.53 160.67 37.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.91 -0.586 . . . . 0.21 109.764 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 p -105.62 -4.88 20.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.998 0.427 . . . . 1.71 110.895 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -129.47 140.39 51.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.071 -0.513 . . . . 4.35 110.485 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 p -71.25 -32.77 69.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.785 -0.643 . . . . 1.18 110.237 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.39 -31.41 72.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.496 -0.775 . . . . 1.69 110.41 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.457 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 9.3 tp10 -78.3 -42.33 31.11 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.729 -0.669 . . . . 1.86 109.727 -178.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 tp -61.86 -43.75 98.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 1.1 110.542 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 7.7 tt0 -63.04 -44.79 94.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.967 0.413 . . . . 2.98 110.234 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.457 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 48.2 ttt180 -55.38 -49.5 72.14 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.749 -0.66 . . . . 3.05 110.265 176.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -61.03 -44.65 97.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.816 -0.629 . . . . 0.17 110.801 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -55.67 -26.71 46.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.13 -0.486 . . . . 2.71 111.326 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 58.3 mtp180 -60.71 -18.57 55.07 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.017 -0.538 . . . . 3.64 111.353 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.2 p -72.23 -32.41 66.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 1.09 110.788 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 121.157 0.503 . . . . 0.29 110.594 -178.709 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.5 t . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 121.041 0.448 . . . . 0.17 110.229 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.9 p -85.47 27.95 0.79 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.857 -0.611 . . . . 2.01 111.502 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.3 t90 . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 109.46 -0.57 . . . . 0.57 109.46 178.847 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.465 0.285 0 N-CA-C 112.099 0.407 . . . . 0.36 112.099 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.5 t -64.45 -67.9 0.4 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.746 -0.464 . . . . 0.23 109.746 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.78 38.61 94.19 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.875 -0.679 . . . . 0.5 113.293 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -81.1 133.19 35.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.435 -0.58 . . . . 2.76 109.435 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -105.62 148.43 27.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.911 0.386 . . . . 3.45 111.348 -175.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -141.6 160.01 41.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.458 -0.792 . . . . 0.21 109.64 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.1 p -101.39 -10.28 20.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.124 0.488 . . . . 1.71 110.582 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -125.87 135.38 51.87 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.698 -0.683 . . . . 4.35 110.53 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 p -69.73 -32.86 71.65 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.652 -0.703 . . . . 1.18 110.909 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -62.38 -34.3 76.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.879 -0.6 . . . . 1.69 110.108 175.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.479 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 4.8 tp10 -72.25 -41.04 67.24 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.83 -0.623 . . . . 1.86 109.834 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.13 -48.07 81.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.989 -0.551 . . . . 1.1 110.87 176.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 29.1 tt0 -62.12 -42.82 99.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.127 0.489 . . . . 2.98 110.337 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.479 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 52.3 ttt180 -55.65 -53.92 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.61 -0.723 . . . . 3.05 109.863 176.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -60.12 -46.34 89.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.593 -0.73 . . . . 0.17 111.073 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -56.91 -30.98 64.43 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.881 0.372 . . . . 2.71 111.216 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 78.7 mtm180 -69.94 -4.01 18.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.072 -0.513 . . . . 3.64 111.988 -177.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.0 p -80.28 -34.34 37.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.002 0.43 . . . . 1.09 109.896 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 CA--C 1.517 -0.303 0 CA-C-O 121.459 0.647 . . . . 0.29 109.38 177.461 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.2 t . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 109.417 -0.586 . . . . 0.17 109.417 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.0 p -84.64 13.19 5.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.722 -0.672 . . . . 2.01 111.498 -176.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 73.0 t90 . . . . . 0 C--O 1.235 0.307 0 CA-C-N 116.077 -0.51 . . . . 0.57 109.681 177.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.466 0.345 0 N-CA-C 112.571 0.582 . . . . 0.36 112.571 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.03 -63.92 0.96 Allowed 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.645 -0.502 . . . . 0.23 109.645 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 60.39 46.51 94.18 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.94 -0.647 . . . . 0.5 113.185 174.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -101.67 129.34 47.79 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.44 -0.578 . . . . 2.76 109.44 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -106.65 146.23 30.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.1 0.476 . . . . 3.45 111.77 -173.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -135.76 168.98 18.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.305 -0.861 . . . . 0.21 109.685 -178.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.2 m -108.88 -5.26 16.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.595 0.712 . . . . 1.71 109.981 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.452 ' HB3' ' OD2' ' A' ' 18' ' ' ASP . 39.8 mtp180 -126.5 133.01 51.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.679 -0.691 . . . . 4.35 110.522 178.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.0 p -68.25 -36.99 80.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 1.18 110.593 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.452 ' OD2' ' HB3' ' A' ' 16' ' ' ARG . 7.6 p-10 -66.42 -29.83 70.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.714 -0.675 . . . . 1.69 110.304 177.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.43 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 15.3 tp10 -70.91 -40.67 72.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.371 -0.603 . . . . 1.86 109.371 177.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.5 tp -61.23 -46.08 91.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.501 -0.772 . . . . 1.1 110.795 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 73.2 mt-30 -59.56 -47.0 87.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.083 0.468 . . . . 2.98 110.052 177.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.43 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 54.4 ttt180 -52.39 -54.03 37.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.199 -0.909 . . . . 3.05 110.306 176.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -59.64 -44.68 93.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.798 -0.637 . . . . 0.17 111.03 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -59.15 -23.4 62.15 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.804 0.335 . . . . 2.71 111.137 -175.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 98.7 mtt180 -65.22 -13.26 57.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.339 -0.392 . . . . 3.64 111.667 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.4 p -78.69 -22.92 45.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 1.09 110.746 176.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.388 0.613 . . . . 0.29 109.364 175.95 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 109.573 -0.528 . . . . 0.17 109.573 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.6 p -91.21 19.66 5.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.78 -0.646 . . . . 2.01 111.167 -176.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.2 t90 . . . . . 0 N--CA 1.45 -0.439 0 CA-C-N 116.09 -0.505 . . . . 0.57 109.835 179.301 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.468 0.443 0 N-CA-C 112.607 0.595 . . . . 0.36 112.607 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.57 -63.28 1.17 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.424 -0.353 . . . . 0.23 110.653 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.74 57.95 16.96 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.03 -0.605 . . . . 0.5 113.079 177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -107.07 134.02 50.82 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.485 -0.561 . . . . 2.76 109.485 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -110.15 145.42 37.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.119 0.485 . . . . 3.45 112.053 -174.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.424 ' HZ ' ' CG ' ' A' ' 23' ' ' HIS . 47.8 m-85 -136.81 163.32 30.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.363 -0.835 . . . . 0.21 109.947 -178.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.5 p -104.95 -11.55 16.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.254 0.55 . . . . 1.71 110.113 176.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -122.75 133.33 54.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.624 -0.717 . . . . 4.35 110.38 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.405 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 10.3 p -66.45 -40.35 89.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.632 -0.713 . . . . 1.18 111.633 -176.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -65.14 -25.28 67.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.855 0.36 . . . . 1.69 110.411 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -72.86 -43.01 63.09 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.886 -0.597 . . . . 1.86 109.685 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 tp -59.52 -46.38 89.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.69 -0.687 . . . . 1.1 110.671 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.504 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 75.1 mm-40 -61.58 -46.83 88.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 2.98 110.451 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -56.28 -48.96 75.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.642 -0.708 . . . . 3.05 110.35 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.424 ' CG ' ' HZ ' ' A' ' 14' ' ' PHE . 23.8 t60 -61.14 -49.06 78.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.651 -0.704 . . . . 0.17 111.021 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -60.86 -21.36 63.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.713 0.292 . . . . 2.71 111.605 -174.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 49.8 mtp180 -68.61 -10.65 57.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.828 -0.349 . . . . 3.64 111.439 177.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.6 p -77.08 -24.32 51.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 1.09 110.115 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 . . . . . 0 CA--C 1.518 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.29 109.32 175.242 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 109.767 -0.457 . . . . 0.17 109.767 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.9 p -92.8 20.33 6.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.822 -0.626 . . . . 2.01 111.43 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.5 t90 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.57 110.019 179.3 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.293 0 N-CA-C 112.077 0.399 . . . . 0.36 112.077 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.7 t -70.91 -67.69 0.49 Allowed 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.155 -0.313 . . . . 0.23 110.155 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.28 67.59 2.1 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 121.159 -0.543 . . . . 0.5 113.272 175.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -125.16 130.33 51.94 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.417 -0.586 . . . . 2.76 109.417 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 13' ' ' ARG . 62.7 mtt85 -106.78 142.36 36.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.02 0.438 . . . . 3.45 111.6 -173.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -130.72 158.56 39.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.583 -0.735 . . . . 0.21 109.768 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.407 HG22 ' HG3' ' A' ' 16' ' ' ARG . 6.2 t -96.43 -5.75 38.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.883 0.373 . . . . 1.71 110.498 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.407 ' HG3' HG22 ' A' ' 15' ' ' THR . 71.0 mtm-85 -129.24 134.63 48.06 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.07 -0.514 . . . . 4.35 110.476 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 p -71.04 -31.24 67.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.816 -0.629 . . . . 1.18 110.739 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -64.52 -34.01 77.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.993 -0.549 . . . . 1.69 109.972 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.406 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 9.8 tp10 -72.07 -39.78 68.75 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.6 -0.727 . . . . 1.86 109.601 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.8 tp -61.81 -47.74 83.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.887 -0.597 . . . . 1.1 110.776 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -61.14 -44.57 97.12 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.217 0.532 . . . . 2.98 110.261 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 60.9 ttt180 -54.18 -53.3 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.406 -0.815 . . . . 3.05 109.837 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.95 -44.6 91.45 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.578 -0.737 . . . . 0.17 110.986 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -55.6 -29.44 59.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.273 -0.421 . . . . 2.71 111.267 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -65.74 -10.1 33.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.194 -0.457 . . . . 3.64 112.118 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -74.84 -32.46 61.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.025 0.44 . . . . 1.09 110.158 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 . . . . . 0 C--O 1.232 0.154 0 CA-C-N 116.002 -0.545 . . . . 0.29 109.696 178.011 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.8 t . . . . . 0 N--CA 1.446 -0.651 0 CA-C-O 121.04 0.448 . . . . 0.17 109.991 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 m -90.83 30.58 1.17 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.525 0.678 . . . . 2.01 110.193 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.9 t90 . . . . . 0 N--CA 1.45 -0.461 0 CA-C-N 115.719 -0.673 . . . . 0.57 109.444 179.212 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.464 0.275 0 N-CA-C 112.441 0.534 . . . . 0.36 112.441 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.5 t -68.59 -67.75 0.45 Allowed 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.515 -0.311 . . . . 0.23 110.212 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 60.88 64.29 4.21 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.201 -0.523 . . . . 0.5 113.626 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.425 ' HD2' ' CE1' ' A' ' 23' ' ' HIS . 63.0 mttp -120.75 134.86 55.27 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.89 -0.411 . . . . 2.76 109.89 176.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -107.03 139.73 40.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.071 0.462 . . . . 3.45 111.418 -175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -131.37 150.52 52.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.477 -0.783 . . . . 0.21 109.422 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 p -94.44 3.76 54.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.081 0.467 . . . . 1.71 110.711 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 37.7 mmt180 -129.51 127.65 41.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.717 -0.674 . . . . 4.35 109.911 -178.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.513 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 19.3 p -65.31 -41.16 94.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.891 -0.595 . . . . 1.18 110.966 -178.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -66.13 -26.12 67.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 1.69 110.416 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 64.3 tt0 -74.18 -39.43 63.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.629 -0.508 . . . . 1.86 109.629 178.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.5 tp -61.76 -43.46 98.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 1.1 110.37 173.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 17' ' ' SER . 79.5 mm-40 -63.11 -46.74 85.9 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.283 0.563 . . . . 2.98 110.154 177.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HG3' ' NH2' ' A' ' 25' ' ' ARG . 62.4 ttt180 -52.27 -56.74 12.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.896 -1.047 . . . . 3.05 110.731 175.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.425 ' CE1' ' HD2' ' A' ' 12' ' ' LYS . 37.5 t60 -58.52 -42.13 87.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.041 -0.527 . . . . 0.17 110.693 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -56.17 -26.92 52.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.267 -0.424 . . . . 2.71 111.142 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.459 ' NH2' ' HG3' ' A' ' 22' ' ' ARG . 24.5 mtm180 -62.04 -16.1 49.38 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.257 -0.429 . . . . 3.64 111.664 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.6 p -75.39 -29.94 59.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.696 0.284 . . . . 1.09 110.72 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.118 0.485 . . . . 0.29 109.888 178.502 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.0 t . . . . . 0 N--CA 1.448 -0.558 0 N-CA-C 110.063 -0.347 . . . . 0.17 110.063 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 t -98.89 28.6 4.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.335 0.588 . . . . 2.01 110.672 -177.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.6 t90 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.57 109.982 177.46 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.465 0.278 0 N-CA-C 112.407 0.521 . . . . 0.36 112.407 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.63 -65.07 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.23 110.119 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.43 66.06 3.11 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 116.063 -0.517 . . . . 0.5 113.379 176.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -118.97 134.61 55.08 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.356 -0.609 . . . . 2.76 109.356 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -111.2 143.87 41.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.053 0.454 . . . . 3.45 112.109 -171.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -137.69 159.17 42.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.3 -0.863 . . . . 0.21 109.412 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -100.15 -15.37 18.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.402 0.62 . . . . 1.71 110.068 177.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -120.73 134.9 55.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.826 -0.625 . . . . 4.35 111.04 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 p -65.21 -32.99 74.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.308 -0.86 . . . . 1.18 110.323 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.45 -36.46 75.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.278 -0.873 . . . . 1.69 110.304 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -75.72 -38.75 58.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.181 -0.918 . . . . 1.86 109.702 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 tp -61.07 -43.63 98.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.617 -0.72 . . . . 1.1 110.369 173.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.26 -44.91 94.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.364 -0.38 . . . . 2.98 110.709 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -56.15 -50.96 69.66 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.022 -0.536 . . . . 3.05 110.128 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -61.18 -44.03 97.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.715 -0.675 . . . . 0.17 111.042 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -50.97 -33.03 22.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.073 -0.512 . . . . 2.71 111.358 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -63.41 -13.8 43.66 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.98 -0.555 . . . . 3.64 112.148 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.5 p -74.48 -38.69 62.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 1.09 110.609 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 . . . . . 0 C--O 1.235 0.334 0 CA-C-O 121.129 0.49 . . . . 0.29 109.892 178.944 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 109.71 -0.478 . . . . 0.17 109.71 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.6 t -93.38 17.81 10.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.636 -0.711 . . . . 2.01 111.131 -176.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 71.9 t90 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.57 109.854 178.723 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.14 0 N-CA-C 112.17 0.433 . . . . 0.36 112.17 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.8 t -63.6 -60.34 3.46 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.202 -0.454 . . . . 0.23 109.994 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.57 69.76 1.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.282 -0.485 . . . . 0.5 113.233 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -132.5 127.56 35.46 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.477 -0.564 . . . . 2.76 109.477 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -104.08 144.62 31.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.191 0.52 . . . . 3.45 111.623 -173.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -132.88 160.84 35.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.356 -0.838 . . . . 0.21 109.35 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.5 p -103.54 0.68 31.27 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.846 0.355 . . . . 1.71 110.872 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -135.23 136.86 42.07 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.975 -0.557 . . . . 4.35 110.305 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.0 t -69.11 -33.89 74.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.938 -0.573 . . . . 1.18 110.785 -177.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -67.01 -29.6 69.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.925 0.393 . . . . 1.69 110.745 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -74.22 -43.09 58.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.809 -0.632 . . . . 1.86 109.47 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.7 tp -62.64 -41.41 99.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.657 -0.701 . . . . 1.1 110.479 174.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 6.4 tp60 -60.88 -47.44 86.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.089 0.471 . . . . 2.98 110.389 176.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -54.92 -48.84 72.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.439 -0.8 . . . . 3.05 110.299 176.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -62.71 -46.6 87.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.434 -0.803 . . . . 0.17 111.057 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -58.28 -25.42 61.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.702 0.287 . . . . 2.71 111.369 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -69.29 -4.36 17.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.532 -0.304 . . . . 3.64 111.665 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.2 p -78.53 -36.99 44.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.112 0.482 . . . . 1.09 109.884 172.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.973 -0.558 . . . . 0.29 109.583 179.156 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.3 t . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 109.506 -0.554 . . . . 0.17 109.506 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.8 p -94.74 23.91 5.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.923 -0.58 . . . . 2.01 111.578 -173.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 62.3 t90 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.522 -0.547 . . . . 0.57 109.522 176.695 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.082 0 N-CA-C 113.03 0.752 . . . . 0.36 113.03 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.4 t -69.61 -67.57 0.47 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.027 -0.36 . . . . 0.23 110.027 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.66 49.03 72.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.287 -0.482 . . . . 0.5 113.476 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -99.54 133.52 43.75 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.401 -0.592 . . . . 2.76 109.401 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -107.83 139.9 41.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.827 0.346 . . . . 3.45 111.677 -171.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -130.88 162.23 30.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.785 -0.643 . . . . 0.21 110.099 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.9 p -100.03 -3.69 31.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.014 0.435 . . . . 1.71 111.006 177.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -133.61 138.19 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.076 -0.511 . . . . 4.35 110.381 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.6 p -71.07 -35.9 72.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.653 -0.703 . . . . 1.18 110.67 -177.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.67 -33.62 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.75 -0.659 . . . . 1.69 110.211 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -73.1 -44.41 60.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.677 -0.692 . . . . 1.86 109.705 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.71 -44.62 96.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.606 -0.725 . . . . 1.1 110.642 175.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -62.54 -44.46 96.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.939 0.4 . . . . 2.98 110.298 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -60.56 -47.34 86.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.833 -0.621 . . . . 3.05 109.993 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -60.24 -44.7 95.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.729 -0.668 . . . . 0.17 110.714 178.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.32 -27.26 55.1 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.777 0.323 . . . . 2.71 111.437 -176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.34 -5.77 20.62 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.123 -0.49 . . . . 3.64 111.791 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.0 p -78.31 -33.56 49.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.901 0.381 . . . . 1.09 110.177 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 . . . . . 0 CA--C 1.517 -0.319 0 CA-C-O 121.123 0.487 . . . . 0.29 109.883 179.155 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--O 1.236 0.385 0 CA-C-O 120.907 0.384 . . . . 0.17 110.342 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 m -89.05 59.32 4.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.692 0.758 . . . . 2.01 110.041 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 74.3 t90 . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 115.219 -0.9 . . . . 0.57 109.245 178.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.161 0 N-CA-C 112.339 0.496 . . . . 0.36 112.339 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.4 t -69.89 -66.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.772 -0.455 . . . . 0.23 109.772 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.13 42.48 93.22 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 121.096 -0.573 . . . . 0.5 114.215 173.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -95.18 136.02 36.03 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.18 -0.674 . . . . 2.76 109.18 174.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -109.64 144.11 38.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.102 0.477 . . . . 3.45 111.535 -174.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -131.28 158.69 39.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.53 -0.759 . . . . 0.21 109.969 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.1 p -96.2 -2.55 46.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.411 0.624 . . . . 1.71 110.699 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.472 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 99.2 mtt180 -129.11 132.88 47.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.721 -0.672 . . . . 4.35 109.984 -178.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 p -68.31 -39.68 81.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.874 -0.603 . . . . 1.18 110.858 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.32 -25.09 64.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 1.69 110.492 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.472 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 30.6 tt0 -74.3 -40.91 61.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.898 -0.778 . . . . 1.86 108.898 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.3 tp -60.78 -45.9 92.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.599 -0.728 . . . . 1.1 110.408 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.77 -45.57 93.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.391 -0.368 . . . . 2.98 111.188 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -58.89 -50.43 74.03 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.878 -0.416 . . . . 3.05 109.878 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -56.24 -46.73 79.48 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.98 -0.554 . . . . 0.17 110.522 177.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -54.99 -30.99 60.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.308 -0.406 . . . . 2.71 111.634 -177.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -68.76 -5.91 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.42 -0.354 . . . . 3.64 111.899 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 p -74.12 -35.42 64.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.337 0.589 . . . . 1.09 109.517 171.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 . . . . . 0 N--CA 1.452 -0.352 0 CA-C-N 115.59 -0.732 . . . . 0.29 109.233 177.574 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 109.915 -0.402 . . . . 3.87 109.915 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -81.66 128.65 6.11 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.132 1.888 . . . . 1.21 112.282 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 97.8 m-85 -108.36 149.38 28.77 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.207 -0.451 . . . . 0.69 110.195 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.9 t -79.17 106.04 10.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.151 -0.477 . . . . 0.17 109.734 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 t -95.12 18.21 12.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 2.01 110.893 -176.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.41 ' CE3' ' HB2' ' A' ' 8' ' ' NVA . 57.0 t90 -66.5 105.13 1.41 Allowed 'General case' 0 C--O 1.237 0.412 0 N-CA-C 109.745 -0.465 . . . . 0.57 109.745 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' NVA . . . . . 0.41 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.99 44.67 1.0 Allowed 'General case' 0 C--N 1.349 0.557 0 O-C-N 121.033 -1.042 . . . . 0.36 112.382 175.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.4 t -77.8 -67.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.47 -0.332 . . . . 0.23 110.154 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 62.74 65.71 2.98 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 114.183 0.433 . . . . 0.5 114.183 174.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -120.72 139.08 53.58 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.065 -0.346 . . . . 2.76 110.065 172.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -110.23 141.94 42.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.93 0.395 . . . . 3.45 111.247 -172.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -135.53 160.67 37.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.91 -0.586 . . . . 0.21 109.764 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 p -105.62 -4.88 20.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.998 0.427 . . . . 1.71 110.895 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -129.47 140.39 51.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.071 -0.513 . . . . 4.35 110.485 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.445 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 11.2 p -71.25 -32.77 69.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.785 -0.643 . . . . 1.18 110.237 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.39 -31.41 72.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.496 -0.775 . . . . 1.69 110.41 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.457 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 9.3 tp10 -78.3 -42.33 31.11 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.729 -0.669 . . . . 1.86 109.727 -178.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 tp -61.86 -43.75 98.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 1.1 110.542 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.436 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 7.7 tt0 -63.04 -44.79 94.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.967 0.413 . . . . 2.98 110.234 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.457 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 48.2 ttt180 -55.38 -49.5 72.14 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.749 -0.66 . . . . 3.05 110.265 176.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -61.03 -44.65 97.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.816 -0.629 . . . . 0.17 110.801 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -55.67 -26.71 46.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.13 -0.486 . . . . 2.71 111.326 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 58.3 mtp180 -60.71 -18.57 55.07 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.017 -0.538 . . . . 3.64 111.353 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.2 p -72.23 -32.41 66.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 1.09 110.788 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -91.53 -48.45 6.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.157 0.503 . . . . 0.29 110.594 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -157.3 -161.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.827 -0.624 . . . . 2.24 110.149 -171.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.12 -67.65 0.54 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.075 -0.583 . . . . 2.59 111.758 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -128.0 40.87 3.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.26 0.553 . . . . 5.72 110.638 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -129.56 86.01 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.79 -0.641 . . . . 8.34 110.184 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.795 0 CA-C-N 115.903 -0.59 . . . . 6.28 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.133 -0.321 . . . . 3.87 110.133 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -85.89 144.03 8.38 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.498 2.132 . . . . 1.21 112.468 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 98.4 m-85 -125.37 138.02 54.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.09 -0.504 . . . . 0.69 109.708 177.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.5 t -81.71 101.61 10.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.946 -0.57 . . . . 0.17 110.229 176.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.9 p -85.47 27.95 0.79 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.857 -0.611 . . . . 2.01 111.502 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -86.25 103.17 14.61 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.46 -0.57 . . . . 0.57 109.46 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.6 25.35 5.19 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.107 -0.995 . . . . 0.36 112.099 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.5 t -64.45 -67.9 0.4 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.746 -0.464 . . . . 0.23 109.746 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.78 38.61 94.19 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.875 -0.679 . . . . 0.5 113.293 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -81.1 133.19 35.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.435 -0.58 . . . . 2.76 109.435 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -105.62 148.43 27.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.911 0.386 . . . . 3.45 111.348 -175.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -141.6 160.01 41.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.458 -0.792 . . . . 0.21 109.64 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.1 p -101.39 -10.28 20.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.124 0.488 . . . . 1.71 110.582 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -125.87 135.38 51.87 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.698 -0.683 . . . . 4.35 110.53 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.455 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 6.1 p -69.73 -32.86 71.65 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.652 -0.703 . . . . 1.18 110.909 -175.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -62.38 -34.3 76.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.879 -0.6 . . . . 1.69 110.108 175.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.479 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 4.8 tp10 -72.25 -41.04 67.24 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.83 -0.623 . . . . 1.86 109.834 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.13 -48.07 81.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.989 -0.551 . . . . 1.1 110.87 176.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.417 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 29.1 tt0 -62.12 -42.82 99.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.127 0.489 . . . . 2.98 110.337 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.479 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 52.3 ttt180 -55.65 -53.92 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.61 -0.723 . . . . 3.05 109.863 176.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -60.12 -46.34 89.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.593 -0.73 . . . . 0.17 111.073 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -56.91 -30.98 64.43 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.881 0.372 . . . . 2.71 111.216 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 78.7 mtm180 -69.94 -4.01 18.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.072 -0.513 . . . . 3.64 111.988 -177.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.0 p -80.28 -34.34 37.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.002 0.43 . . . . 1.09 109.896 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -76.79 -52.46 9.5 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.459 0.647 . . . . 0.29 109.38 177.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.8 m -155.62 131.22 9.73 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.04 -0.982 . . . . 2.24 109.656 -177.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.85 -72.71 0.29 Allowed Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.628 -0.796 . . . . 2.59 112.318 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -135.95 -78.87 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.812 -0.228 . . . . 5.72 111.516 -175.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt 62.65 85.74 0.12 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.597 0.713 . . . . 8.34 110.033 -175.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 115.852 -0.613 . . . . 6.28 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.885 -0.413 . . . . 3.87 109.885 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -83.31 113.37 2.04 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.258 1.972 . . . . 1.21 112.271 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 98.4 m-85 -96.49 145.47 25.66 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.738 -0.664 . . . . 0.69 109.252 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.2 t -82.12 97.61 8.27 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.381 -0.827 . . . . 0.17 109.417 172.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.0 p -84.64 13.19 5.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.722 -0.672 . . . . 2.01 111.498 -176.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.41 ' CE3' ' HB2' ' A' ' 8' ' ' NVA . 73.0 t90 -62.5 106.52 0.78 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.077 -0.51 . . . . 0.57 109.681 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' NVA . . . . . 0.41 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.46 33.57 3.1 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.888 -1.133 . . . . 0.36 112.571 177.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.03 -63.92 0.96 Allowed 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.645 -0.502 . . . . 0.23 109.645 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 60.39 46.51 94.18 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.94 -0.647 . . . . 0.5 113.185 174.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -101.67 129.34 47.79 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.44 -0.578 . . . . 2.76 109.44 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.461 ' HA ' ' O ' ' A' ' 3' ' ' PHE . 66.1 mtt85 -106.65 146.23 30.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.1 0.476 . . . . 3.45 111.77 -173.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -135.76 168.98 18.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.305 -0.861 . . . . 0.21 109.685 -178.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.2 m -108.88 -5.26 16.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.595 0.712 . . . . 1.71 109.981 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.452 ' HB3' ' OD2' ' A' ' 18' ' ' ASP . 39.8 mtp180 -126.5 133.01 51.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.679 -0.691 . . . . 4.35 110.522 178.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.0 p -68.25 -36.99 80.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 1.18 110.593 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.452 ' OD2' ' HB3' ' A' ' 16' ' ' ARG . 7.6 p-10 -66.42 -29.83 70.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.714 -0.675 . . . . 1.69 110.304 177.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.43 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 15.3 tp10 -70.91 -40.67 72.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.371 -0.603 . . . . 1.86 109.371 177.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.5 tp -61.23 -46.08 91.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.501 -0.772 . . . . 1.1 110.795 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.482 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 73.2 mt-30 -59.56 -47.0 87.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.083 0.468 . . . . 2.98 110.052 177.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.43 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 54.4 ttt180 -52.39 -54.03 37.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.199 -0.909 . . . . 3.05 110.306 176.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -59.64 -44.68 93.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.798 -0.637 . . . . 0.17 111.03 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -59.15 -23.4 62.15 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.804 0.335 . . . . 2.71 111.137 -175.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 98.7 mtt180 -65.22 -13.26 57.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.339 -0.392 . . . . 3.64 111.667 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.4 p -78.69 -22.92 45.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 1.09 110.746 176.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -91.17 -50.66 5.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.388 0.613 . . . . 0.29 109.364 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.0 t -138.58 93.02 2.68 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.446 -0.797 . . . . 2.24 110.295 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.29 60.25 0.27 Allowed Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.695 -0.684 . . . . 2.59 111.693 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -150.44 27.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.064 0.459 . . . . 5.72 110.333 -177.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -89.93 -74.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.978 -0.555 . . . . 8.34 110.758 -176.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 116.503 -0.317 . . . . 6.28 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 110.058 -0.349 . . . . 3.87 110.058 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.18 110.25 2.78 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.034 1.823 . . . . 1.21 111.478 173.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 98.9 m-85 -92.27 142.33 27.59 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.103 -0.703 . . . . 0.69 109.103 176.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.6 t -78.94 103.82 9.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.525 -0.761 . . . . 0.17 109.573 175.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.6 p -91.21 19.66 5.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.78 -0.646 . . . . 2.01 111.167 -176.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.42 ' CE3' ' HB2' ' A' ' 8' ' ' NVA . 43.2 t90 -68.85 108.16 3.35 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.09 -0.505 . . . . 0.57 109.835 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' NVA . . . . . 0.42 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.14 27.61 6.51 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.795 -1.191 . . . . 0.36 112.607 176.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.57 -63.28 1.17 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.424 -0.353 . . . . 0.23 110.653 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.74 57.95 16.96 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.03 -0.605 . . . . 0.5 113.079 177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -107.07 134.02 50.82 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.485 -0.561 . . . . 2.76 109.485 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -110.15 145.42 37.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.119 0.485 . . . . 3.45 112.053 -174.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.424 ' HZ ' ' CG ' ' A' ' 23' ' ' HIS . 47.8 m-85 -136.81 163.32 30.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.363 -0.835 . . . . 0.21 109.947 -178.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.5 p -104.95 -11.55 16.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.254 0.55 . . . . 1.71 110.113 176.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -122.75 133.33 54.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.624 -0.717 . . . . 4.35 110.38 -175.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 10.3 p -66.45 -40.35 89.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.632 -0.713 . . . . 1.18 111.633 -176.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -65.14 -25.28 67.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.855 0.36 . . . . 1.69 110.411 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -72.86 -43.01 63.09 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.886 -0.597 . . . . 1.86 109.685 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 tp -59.52 -46.38 89.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.69 -0.687 . . . . 1.1 110.671 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.504 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 75.1 mm-40 -61.58 -46.83 88.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 2.98 110.451 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -56.28 -48.96 75.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.642 -0.708 . . . . 3.05 110.35 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.424 ' CG ' ' HZ ' ' A' ' 14' ' ' PHE . 23.8 t60 -61.14 -49.06 78.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.651 -0.704 . . . . 0.17 111.021 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -60.86 -21.36 63.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.713 0.292 . . . . 2.71 111.605 -174.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 49.8 mtp180 -68.61 -10.65 57.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.828 -0.349 . . . . 3.64 111.439 177.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.6 p -77.08 -24.32 51.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 1.09 110.115 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -90.69 -60.45 1.91 Allowed 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.29 109.32 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.2 p -121.34 71.87 0.97 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.985 -1.007 . . . . 2.24 111.271 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.39 -35.16 34.09 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.835 -0.906 . . . . 2.59 110.835 174.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 57.02 29.96 17.35 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.059 0.543 . . . . 5.72 112.12 174.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -131.26 -79.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.024 0.44 . . . . 8.34 110.14 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 116.415 -0.357 . . . . 6.28 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.86 -0.422 . . . . 3.87 109.86 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.92 97.12 1.05 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.282 1.988 . . . . 1.21 112.513 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -83.88 101.27 11.54 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.366 -0.605 . . . . 0.69 109.366 175.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.7 t -82.14 104.64 12.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.457 -0.792 . . . . 0.17 109.767 174.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.9 p -92.8 20.33 6.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.822 -0.626 . . . . 2.01 111.43 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.5 t90 -68.32 106.69 2.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.57 110.019 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.66 36.2 1.98 Allowed 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.943 -1.098 . . . . 0.36 112.077 176.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.7 t -70.91 -67.69 0.49 Allowed 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.155 -0.313 . . . . 0.23 110.155 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.28 67.59 2.1 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 121.159 -0.543 . . . . 0.5 113.272 175.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -125.16 130.33 51.94 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.417 -0.586 . . . . 2.76 109.417 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 13' ' ' ARG . 62.7 mtt85 -106.78 142.36 36.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.02 0.438 . . . . 3.45 111.6 -173.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -130.72 158.56 39.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.583 -0.735 . . . . 0.21 109.768 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.407 HG22 ' HG3' ' A' ' 16' ' ' ARG . 6.2 t -96.43 -5.75 38.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.883 0.373 . . . . 1.71 110.498 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.407 ' HG3' HG22 ' A' ' 15' ' ' THR . 71.0 mtm-85 -129.24 134.63 48.06 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.07 -0.514 . . . . 4.35 110.476 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 p -71.04 -31.24 67.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.816 -0.629 . . . . 1.18 110.739 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -64.52 -34.01 77.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.993 -0.549 . . . . 1.69 109.972 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 9.8 tp10 -72.07 -39.78 68.75 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.6 -0.727 . . . . 1.86 109.601 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.8 tp -61.81 -47.74 83.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.887 -0.597 . . . . 1.1 110.776 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -61.14 -44.57 97.12 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.217 0.532 . . . . 2.98 110.261 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.406 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 60.9 ttt180 -54.18 -53.3 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.406 -0.815 . . . . 3.05 109.837 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.95 -44.6 91.45 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.578 -0.737 . . . . 0.17 110.986 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -55.6 -29.44 59.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.273 -0.421 . . . . 2.71 111.267 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.648 ' HA ' ' O ' ' A' ' 28' ' ' THR . 92.1 mtt180 -65.74 -10.1 33.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.194 -0.457 . . . . 3.64 112.118 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -74.84 -32.46 61.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.025 0.44 . . . . 1.09 110.158 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -85.46 -39.41 17.53 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.002 -0.545 . . . . 0.29 109.696 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.648 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 11.4 t -159.99 134.02 7.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.529 -0.76 . . . . 2.24 109.654 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.61 -37.36 67.96 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.566 -0.743 . . . . 2.59 113.604 -171.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -160.82 149.36 16.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.907 0.354 . . . . 5.72 110.316 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -157.73 95.42 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.081 -0.509 . . . . 8.34 109.742 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.405 -0.362 . . . . 6.28 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 110.221 -0.288 . . . . 3.87 110.221 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.51 99.49 1.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.228 1.952 . . . . 1.21 110.759 171.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 99.9 m-85 -78.55 104.45 9.17 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.453 -0.573 . . . . 0.69 109.453 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.29 98.98 0.66 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.43 -0.805 . . . . 0.17 109.991 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 m -90.83 30.58 1.17 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.525 0.678 . . . . 2.01 110.193 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.41 ' CE3' ' HB2' ' A' ' 8' ' ' NVA . 48.9 t90 -80.22 108.79 14.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.719 -0.673 . . . . 0.57 109.444 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' NVA . . . . . 0.41 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.55 33.54 3.12 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.938 -1.101 . . . . 0.36 112.441 176.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.5 t -68.59 -67.75 0.45 Allowed 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.515 -0.311 . . . . 0.23 110.212 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 60.88 64.29 4.21 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.201 -0.523 . . . . 0.5 113.626 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.425 ' HD2' ' CE1' ' A' ' 23' ' ' HIS . 63.0 mttp -120.75 134.86 55.27 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.89 -0.411 . . . . 2.76 109.89 176.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -107.03 139.73 40.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.071 0.462 . . . . 3.45 111.418 -175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -131.37 150.52 52.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.477 -0.783 . . . . 0.21 109.422 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 p -94.44 3.76 54.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.081 0.467 . . . . 1.71 110.711 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.406 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 37.7 mmt180 -129.51 127.65 41.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.717 -0.674 . . . . 4.35 109.911 -178.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.513 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 19.3 p -65.31 -41.16 94.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.891 -0.595 . . . . 1.18 110.966 -178.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -66.13 -26.12 67.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 1.69 110.416 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 64.3 tt0 -74.18 -39.43 63.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.629 -0.508 . . . . 1.86 109.629 178.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.5 tp -61.76 -43.46 98.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 1.1 110.37 173.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' ' 17' ' ' SER . 79.5 mm-40 -63.11 -46.74 85.9 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.283 0.563 . . . . 2.98 110.154 177.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.459 ' HG3' ' NH2' ' A' ' 25' ' ' ARG . 62.4 ttt180 -52.27 -56.74 12.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.896 -1.047 . . . . 3.05 110.731 175.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.425 ' CE1' ' HD2' ' A' ' 12' ' ' LYS . 37.5 t60 -58.52 -42.13 87.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.041 -0.527 . . . . 0.17 110.693 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -56.17 -26.92 52.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.267 -0.424 . . . . 2.71 111.142 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.459 ' NH2' ' HG3' ' A' ' 22' ' ' ARG . 24.5 mtm180 -62.04 -16.1 49.38 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.257 -0.429 . . . . 3.64 111.664 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.6 p -75.39 -29.94 59.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.696 0.284 . . . . 1.09 110.72 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -90.73 -52.04 5.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.118 0.485 . . . . 0.29 109.888 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.7 p -123.28 65.68 0.99 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.584 -0.735 . . . . 2.24 111.073 -176.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -145.14 28.11 1.84 Allowed Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.428 -0.669 . . . . 2.59 111.428 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -66.07 -34.1 77.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.967 0.413 . . . . 5.72 110.562 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -151.63 86.98 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.201 0.524 . . . . 8.34 109.619 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 116.233 -0.44 . . . . 6.28 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 110.346 -0.242 . . . . 3.87 110.346 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -86.49 141.93 6.88 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 122.267 1.978 . . . . 1.21 111.802 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 98.7 m-85 -122.46 141.53 51.52 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.629 -0.508 . . . . 0.69 109.629 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.0 t -82.51 110.08 17.3 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.606 -0.725 . . . . 0.17 110.063 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 t -98.89 28.6 4.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.335 0.588 . . . . 2.01 110.672 -177.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -72.71 105.06 4.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.57 109.982 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.59 35.01 3.01 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.881 -1.137 . . . . 0.36 112.407 174.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.63 -65.07 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.23 110.119 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.43 66.06 3.11 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 116.063 -0.517 . . . . 0.5 113.379 176.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -118.97 134.61 55.08 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.356 -0.609 . . . . 2.76 109.356 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -111.2 143.87 41.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.053 0.454 . . . . 3.45 112.109 -171.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -137.69 159.17 42.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.3 -0.863 . . . . 0.21 109.412 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -100.15 -15.37 18.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.402 0.62 . . . . 1.71 110.068 177.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -120.73 134.9 55.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.826 -0.625 . . . . 4.35 111.04 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.512 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 4.0 p -65.21 -32.99 74.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.308 -0.86 . . . . 1.18 110.323 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.45 -36.46 75.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.278 -0.873 . . . . 1.69 110.304 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -75.72 -38.75 58.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.181 -0.918 . . . . 1.86 109.702 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 tp -61.07 -43.63 98.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.617 -0.72 . . . . 1.1 110.369 173.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.26 -44.91 94.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.364 -0.38 . . . . 2.98 110.709 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -56.15 -50.96 69.66 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.022 -0.536 . . . . 3.05 110.128 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -61.18 -44.03 97.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.715 -0.675 . . . . 0.17 111.042 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -50.97 -33.03 22.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.073 -0.512 . . . . 2.71 111.358 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 28' ' ' THR . 83.6 mtp180 -63.41 -13.8 43.66 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.98 -0.555 . . . . 3.64 112.148 -177.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.5 p -74.48 -38.69 62.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 1.09 110.609 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -83.57 -36.54 23.9 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.129 0.49 . . . . 0.29 109.892 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.502 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 9.0 t -154.82 124.14 6.39 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.722 -0.672 . . . . 2.24 110.15 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -144.65 -48.37 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.55 -0.833 . . . . 2.59 111.765 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -83.4 60.94 5.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.418 0.628 . . . . 5.72 109.815 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -123.52 -73.29 0.65 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.404 -0.816 . . . . 8.34 109.915 -176.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 116.33 -0.395 . . . . 6.28 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 95.5 mtt180 . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.132 -0.321 . . . . 3.87 110.132 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 17.6 Cg_exo -66.77 105.64 0.97 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.207 1.938 . . . . 1.21 111.772 176.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -78.98 99.02 6.66 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.289 -0.634 . . . . 0.69 109.289 178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.6 t -79.91 106.31 11.84 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.71 -0.478 . . . . 0.17 109.71 173.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.6 t -93.38 17.81 10.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.636 -0.711 . . . . 2.01 111.131 -176.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -67.42 105.48 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.57 109.854 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.13 36.23 2.86 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.973 -1.08 . . . . 0.36 112.17 175.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.8 t -63.6 -60.34 3.46 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.202 -0.454 . . . . 0.23 109.994 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.57 69.76 1.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.282 -0.485 . . . . 0.5 113.233 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -132.5 127.56 35.46 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.477 -0.564 . . . . 2.76 109.477 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -104.08 144.62 31.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.191 0.52 . . . . 3.45 111.623 -173.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -132.88 160.84 35.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.356 -0.838 . . . . 0.21 109.35 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.5 p -103.54 0.68 31.27 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.846 0.355 . . . . 1.71 110.872 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -135.23 136.86 42.07 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.975 -0.557 . . . . 4.35 110.305 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.0 t -69.11 -33.89 74.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.938 -0.573 . . . . 1.18 110.785 -177.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -67.01 -29.6 69.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.925 0.393 . . . . 1.69 110.745 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -74.22 -43.09 58.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.809 -0.632 . . . . 1.86 109.47 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.7 tp -62.64 -41.41 99.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.657 -0.701 . . . . 1.1 110.479 174.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 6.4 tp60 -60.88 -47.44 86.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.089 0.471 . . . . 2.98 110.389 176.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -54.92 -48.84 72.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.439 -0.8 . . . . 3.05 110.299 176.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -62.71 -46.6 87.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.434 -0.803 . . . . 0.17 111.057 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -58.28 -25.42 61.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.702 0.287 . . . . 2.71 111.369 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -69.29 -4.36 17.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.532 -0.304 . . . . 3.64 111.665 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.2 p -78.53 -36.99 44.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.112 0.482 . . . . 1.09 109.884 172.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -83.4 -54.54 4.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.973 -0.558 . . . . 0.29 109.583 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.9 p -113.55 75.09 0.9 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.496 -0.775 . . . . 2.24 110.428 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -116.96 161.19 13.15 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.742 -0.742 . . . . 2.59 111.717 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -122.2 80.24 1.69 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.754 -0.462 . . . . 5.72 109.754 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -86.82 74.56 9.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.715 -0.675 . . . . 8.34 110.594 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.807 0 CA-C-N 115.983 -0.553 . . . . 6.28 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 . . . . . 0 N--CA 1.482 1.135 0 N-CA-C 110.188 -0.301 . . . . 3.87 110.188 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.55 97.16 0.69 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.49 2.127 . . . . 1.21 112.453 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.427 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 90.6 m-85 -85.23 91.93 8.28 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.299 -0.63 . . . . 0.69 109.299 175.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.3 t -75.51 107.99 8.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.842 -0.617 . . . . 0.17 109.506 174.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.8 p -94.74 23.91 5.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.923 -0.58 . . . . 2.01 111.578 -173.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.474 ' CE3' ' HG2' ' A' ' 8' ' ' NVA . 62.3 t90 -72.04 103.1 3.15 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.522 -0.547 . . . . 0.57 109.522 176.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' NVA . . . . . 0.474 ' HG2' ' CE3' ' A' ' 7' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.19 18.33 22.5 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 121.37 -0.831 . . . . 0.36 113.03 -172.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.4 t -69.61 -67.57 0.47 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.027 -0.36 . . . . 0.23 110.027 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.66 49.03 72.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.287 -0.482 . . . . 0.5 113.476 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -99.54 133.52 43.75 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.401 -0.592 . . . . 2.76 109.401 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -107.83 139.9 41.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.827 0.346 . . . . 3.45 111.677 -171.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -130.88 162.23 30.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.785 -0.643 . . . . 0.21 110.099 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.9 p -100.03 -3.69 31.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.014 0.435 . . . . 1.71 111.006 177.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -133.61 138.19 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.076 -0.511 . . . . 4.35 110.381 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.427 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 14.6 p -71.07 -35.9 72.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.653 -0.703 . . . . 1.18 110.67 -177.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.67 -33.62 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.75 -0.659 . . . . 1.69 110.211 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -73.1 -44.41 60.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.677 -0.692 . . . . 1.86 109.705 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.71 -44.62 96.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.606 -0.725 . . . . 1.1 110.642 175.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -62.54 -44.46 96.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.939 0.4 . . . . 2.98 110.298 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -60.56 -47.34 86.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.833 -0.621 . . . . 3.05 109.993 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -60.24 -44.7 95.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.729 -0.668 . . . . 0.17 110.714 178.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.32 -27.26 55.1 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.777 0.323 . . . . 2.71 111.437 -176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.34 -5.77 20.62 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.123 -0.49 . . . . 3.64 111.791 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.0 p -78.31 -33.56 49.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.901 0.381 . . . . 1.09 110.177 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -88.82 -62.65 1.44 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.123 0.487 . . . . 0.29 109.883 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.409 ' O ' HG22 ' A' ' 28' ' ' THR . 5.1 t -166.43 86.34 0.31 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.227 -0.897 . . . . 2.24 110.375 -174.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -153.43 14.63 0.63 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.748 -0.739 . . . . 2.59 112.037 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -126.28 65.61 1.23 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.383 0.611 . . . . 5.72 109.976 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.8 -64.79 1.01 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.086 0.469 . . . . 8.34 110.396 -178.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 116.127 -0.488 . . . . 6.28 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 44.3 mtm180 . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 110.437 -0.208 . . . . 3.87 110.437 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -83.25 132.16 5.98 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.453 2.102 . . . . 1.21 112.193 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 99.3 m-85 -92.88 106.31 18.3 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.882 -0.599 . . . . 0.69 109.813 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.5 t -72.41 98.3 2.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.839 -0.619 . . . . 0.17 110.342 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 m -89.05 59.32 4.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.692 0.758 . . . . 2.01 110.041 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . 0.421 ' CE3' ' HB2' ' A' ' 8' ' ' NVA . 74.3 t90 -116.44 109.65 17.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.219 -0.9 . . . . 0.57 109.245 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' NVA . . . . . 0.421 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.0 35.03 3.39 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.928 -1.107 . . . . 0.36 112.339 174.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.4 t -69.89 -66.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.772 -0.455 . . . . 0.23 109.772 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.13 42.48 93.22 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 121.096 -0.573 . . . . 0.5 114.215 173.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -95.18 136.02 36.03 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.18 -0.674 . . . . 2.76 109.18 174.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -109.64 144.11 38.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.102 0.477 . . . . 3.45 111.535 -174.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -131.28 158.69 39.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.53 -0.759 . . . . 0.21 109.969 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.1 p -96.2 -2.55 46.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.411 0.624 . . . . 1.71 110.699 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.472 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 99.2 mtt180 -129.11 132.88 47.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.721 -0.672 . . . . 4.35 109.984 -178.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.421 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 5.8 p -68.31 -39.68 81.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.874 -0.603 . . . . 1.18 110.858 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.32 -25.09 64.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 1.69 110.492 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.472 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 30.6 tt0 -74.3 -40.91 61.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.898 -0.778 . . . . 1.86 108.898 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.3 tp -60.78 -45.9 92.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.599 -0.728 . . . . 1.1 110.408 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.77 -45.57 93.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.391 -0.368 . . . . 2.98 111.188 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -58.89 -50.43 74.03 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.878 -0.416 . . . . 3.05 109.878 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -56.24 -46.73 79.48 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.98 -0.554 . . . . 0.17 110.522 177.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -54.99 -30.99 60.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.308 -0.406 . . . . 2.71 111.634 -177.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -68.76 -5.91 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.42 -0.354 . . . . 3.64 111.899 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 p -74.12 -35.42 64.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.337 0.589 . . . . 1.09 109.517 171.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -80.07 -54.48 5.74 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.59 -0.732 . . . . 0.29 109.233 177.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 t -166.93 137.39 3.11 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.709 -0.678 . . . . 2.24 110.817 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.2 -29.97 5.24 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.359 -0.696 . . . . 2.59 111.359 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -161.4 145.01 12.8 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.415 -0.587 . . . . 5.72 109.415 178.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.3 tptt 57.61 69.77 0.71 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.778 0.799 . . . . 8.34 109.983 -176.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 0 CA-C-N 115.662 -0.699 . . . . 6.28 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 109.734 -0.469 . . . . 0.17 109.734 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 t -95.12 18.21 12.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 1.49 110.893 -176.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.0 t90 . . . . . 0 C--O 1.237 0.412 0 N-CA-C 109.745 -0.465 . . . . 0.49 109.745 179.21 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.291 0 N-CA-C 112.382 0.512 . . . . 0.34 112.382 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.4 t -77.8 -67.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.47 -0.332 . . . . 0.23 110.154 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 62.74 65.71 2.98 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 114.183 0.433 . . . . 0.5 114.183 174.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -120.72 139.08 53.58 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.065 -0.346 . . . . 2.3 110.065 172.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -110.23 141.94 42.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.93 0.395 . . . . 2.85 111.247 -172.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -135.53 160.67 37.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.91 -0.586 . . . . 0.21 109.764 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 p -105.62 -4.88 20.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.998 0.427 . . . . 1.14 110.895 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -129.47 140.39 51.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.071 -0.513 . . . . 3.72 110.485 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 p -71.25 -32.77 69.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.785 -0.643 . . . . 0.81 110.237 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.39 -31.41 72.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.496 -0.775 . . . . 1.69 110.41 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.472 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 9.3 tp10 -78.3 -42.33 31.11 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.729 -0.669 . . . . 1.86 109.727 -178.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 tp -61.86 -43.75 98.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.2 110.542 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 48.3 tt0 -63.04 -44.79 94.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.967 0.413 . . . . 2.4 110.234 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.472 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 48.2 ttt180 -55.38 -49.5 72.14 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.749 -0.66 . . . . 2.56 110.265 176.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -61.03 -44.65 97.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.816 -0.629 . . . . 0.14 110.801 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -55.67 -26.71 46.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.13 -0.486 . . . . 2.17 111.326 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 58.3 mtp180 -60.71 -18.57 55.07 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.017 -0.538 . . . . 3.06 111.353 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.2 p -72.23 -32.41 66.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.26 110.788 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 121.157 0.503 . . . . 0.29 110.594 -178.709 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.5 t . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 121.041 0.448 . . . . 0.17 110.229 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.9 p -85.47 27.95 0.79 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.857 -0.611 . . . . 1.49 111.502 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.3 t90 . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 109.46 -0.57 . . . . 0.49 109.46 178.847 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.465 0.285 0 N-CA-C 112.099 0.407 . . . . 0.34 112.099 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.5 t -64.45 -67.9 0.4 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.746 -0.464 . . . . 0.23 109.746 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.78 38.61 94.19 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.875 -0.679 . . . . 0.5 113.293 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -81.1 133.19 35.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.435 -0.58 . . . . 2.3 109.435 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -105.62 148.43 27.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.911 0.386 . . . . 2.85 111.348 -175.232 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -141.6 160.01 41.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.458 -0.792 . . . . 0.21 109.64 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.1 p -101.39 -10.28 20.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.124 0.488 . . . . 1.14 110.582 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -125.87 135.38 51.87 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.698 -0.683 . . . . 3.72 110.53 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 p -69.73 -32.86 71.65 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.652 -0.703 . . . . 0.81 110.909 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -62.38 -34.3 76.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.879 -0.6 . . . . 1.69 110.108 175.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.492 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 4.8 tp10 -72.25 -41.04 67.24 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.83 -0.623 . . . . 1.86 109.834 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.13 -48.07 81.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.989 -0.551 . . . . 0.2 110.87 176.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 29.1 tt0 -62.12 -42.82 99.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.127 0.489 . . . . 2.4 110.337 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.492 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 52.3 ttt180 -55.65 -53.92 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.61 -0.723 . . . . 2.56 109.863 176.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -60.12 -46.34 89.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.593 -0.73 . . . . 0.14 111.073 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -56.91 -30.98 64.43 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.881 0.372 . . . . 2.17 111.216 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 78.7 mtm180 -69.94 -4.01 18.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.072 -0.513 . . . . 3.06 111.988 -177.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.0 p -80.28 -34.34 37.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.002 0.43 . . . . 0.26 109.896 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 CA--C 1.517 -0.303 0 CA-C-O 121.459 0.647 . . . . 0.29 109.38 177.461 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.2 t . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 109.417 -0.586 . . . . 0.17 109.417 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.0 p -84.64 13.19 5.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.722 -0.672 . . . . 1.49 111.498 -176.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 73.0 t90 . . . . . 0 C--O 1.235 0.307 0 CA-C-N 116.077 -0.51 . . . . 0.49 109.681 177.966 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.466 0.345 0 N-CA-C 112.571 0.582 . . . . 0.34 112.571 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.03 -63.92 0.96 Allowed 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.645 -0.502 . . . . 0.23 109.645 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 60.39 46.51 94.18 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.94 -0.647 . . . . 0.5 113.185 174.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -101.67 129.34 47.79 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.44 -0.578 . . . . 2.3 109.44 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -106.65 146.23 30.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.1 0.476 . . . . 2.85 111.77 -173.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -135.76 168.98 18.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.305 -0.861 . . . . 0.21 109.685 -178.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.2 m -108.88 -5.26 16.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.595 0.712 . . . . 1.14 109.981 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.464 ' HB3' ' OD2' ' A' ' 18' ' ' ASP . 39.8 mtp180 -126.5 133.01 51.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.679 -0.691 . . . . 3.72 110.522 178.563 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.0 p -68.25 -36.99 80.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.81 110.593 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.464 ' OD2' ' HB3' ' A' ' 16' ' ' ARG . 7.6 p-10 -66.42 -29.83 70.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.714 -0.675 . . . . 1.69 110.304 177.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.446 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 15.3 tp10 -70.91 -40.67 72.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.371 -0.603 . . . . 1.86 109.371 177.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.5 tp -61.23 -46.08 91.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.501 -0.772 . . . . 0.2 110.795 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 73.2 mt-30 -59.56 -47.0 87.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.083 0.468 . . . . 2.4 110.052 177.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.446 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 54.4 ttt180 -52.39 -54.03 37.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.199 -0.909 . . . . 2.56 110.306 176.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -59.64 -44.68 93.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.798 -0.637 . . . . 0.14 111.03 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -59.15 -23.4 62.15 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.804 0.335 . . . . 2.17 111.137 -175.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 98.7 mtt180 -65.22 -13.26 57.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.339 -0.392 . . . . 3.06 111.667 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.4 p -78.69 -22.92 45.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.26 110.746 176.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.388 0.613 . . . . 0.29 109.364 175.95 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 109.573 -0.528 . . . . 0.17 109.573 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.6 p -91.21 19.66 5.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.78 -0.646 . . . . 1.49 111.167 -176.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.2 t90 . . . . . 0 N--CA 1.45 -0.439 0 CA-C-N 116.09 -0.505 . . . . 0.49 109.835 179.301 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.468 0.443 0 N-CA-C 112.607 0.595 . . . . 0.34 112.607 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.57 -63.28 1.17 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.424 -0.353 . . . . 0.23 110.653 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.74 57.95 16.96 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.03 -0.605 . . . . 0.5 113.079 177.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -107.07 134.02 50.82 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.485 -0.561 . . . . 2.3 109.485 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -110.15 145.42 37.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.119 0.485 . . . . 2.85 112.053 -174.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -136.81 163.32 30.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.363 -0.835 . . . . 0.21 109.947 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.5 p -104.95 -11.55 16.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.254 0.55 . . . . 1.14 110.113 176.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 69.5 mtm180 -122.75 133.33 54.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.624 -0.717 . . . . 3.72 110.38 -175.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 10.3 p -66.45 -40.35 89.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.632 -0.713 . . . . 0.81 111.633 -176.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -65.14 -25.28 67.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.855 0.36 . . . . 1.69 110.411 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.429 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 6.0 tp10 -72.86 -43.01 63.09 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.886 -0.597 . . . . 1.86 109.685 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 tp -59.52 -46.38 89.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.69 -0.687 . . . . 0.2 110.671 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 75.1 mm-40 -61.58 -46.83 88.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 2.4 110.451 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -56.28 -48.96 75.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.642 -0.708 . . . . 2.56 110.35 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -61.14 -49.06 78.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.651 -0.704 . . . . 0.14 111.021 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -60.86 -21.36 63.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.713 0.292 . . . . 2.17 111.605 -174.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 49.8 mtp180 -68.61 -10.65 57.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.828 -0.349 . . . . 3.06 111.439 177.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.6 p -77.08 -24.32 51.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 0.26 110.115 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 . . . . . 0 CA--C 1.518 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.29 109.32 175.242 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 109.767 -0.457 . . . . 0.17 109.767 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.9 p -92.8 20.33 6.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.822 -0.626 . . . . 1.49 111.43 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.5 t90 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.49 110.019 179.3 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.293 0 N-CA-C 112.077 0.399 . . . . 0.34 112.077 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.7 t -70.91 -67.69 0.49 Allowed 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.155 -0.313 . . . . 0.23 110.155 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.28 67.59 2.1 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 121.159 -0.543 . . . . 0.5 113.272 175.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -125.16 130.33 51.94 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.417 -0.586 . . . . 2.3 109.417 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 13' ' ' ARG . 62.7 mtt85 -106.78 142.36 36.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.02 0.438 . . . . 2.85 111.6 -173.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -130.72 158.56 39.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.583 -0.735 . . . . 0.21 109.768 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.429 HG23 ' HG3' ' A' ' 16' ' ' ARG . 6.2 t -96.43 -5.75 38.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.883 0.373 . . . . 1.14 110.498 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HG3' HG23 ' A' ' 15' ' ' THR . 71.0 mtm-85 -129.24 134.63 48.06 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.07 -0.514 . . . . 3.72 110.476 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 p -71.04 -31.24 67.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.816 -0.629 . . . . 0.81 110.739 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -64.52 -34.01 77.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.993 -0.549 . . . . 1.69 109.972 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 9.8 tp10 -72.07 -39.78 68.75 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.6 -0.727 . . . . 1.86 109.601 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.8 tp -61.81 -47.74 83.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.887 -0.597 . . . . 0.2 110.776 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -61.14 -44.57 97.12 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.217 0.532 . . . . 2.4 110.261 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.421 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 60.9 ttt180 -54.18 -53.3 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.406 -0.815 . . . . 2.56 109.837 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.95 -44.6 91.45 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.578 -0.737 . . . . 0.14 110.986 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -55.6 -29.44 59.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.273 -0.421 . . . . 2.17 111.267 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -65.74 -10.1 33.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.194 -0.457 . . . . 3.06 112.118 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -74.84 -32.46 61.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.025 0.44 . . . . 0.26 110.158 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 . . . . . 0 C--O 1.232 0.154 0 CA-C-N 116.002 -0.545 . . . . 0.29 109.696 178.011 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.8 t . . . . . 0 N--CA 1.446 -0.651 0 CA-C-O 121.04 0.448 . . . . 0.17 109.991 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 m -90.83 30.58 1.17 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.525 0.678 . . . . 1.49 110.193 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.9 t90 . . . . . 0 N--CA 1.45 -0.461 0 CA-C-N 115.719 -0.673 . . . . 0.49 109.444 179.212 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.464 0.275 0 N-CA-C 112.441 0.534 . . . . 0.34 112.441 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.5 t -68.59 -67.75 0.45 Allowed 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.515 -0.311 . . . . 0.23 110.212 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 60.88 64.29 4.21 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.201 -0.523 . . . . 0.5 113.626 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -120.75 134.86 55.27 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.89 -0.411 . . . . 2.3 109.89 176.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -107.03 139.73 40.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.071 0.462 . . . . 2.85 111.418 -175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -131.37 150.52 52.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.477 -0.783 . . . . 0.21 109.422 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 p -94.44 3.76 54.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.081 0.467 . . . . 1.14 110.711 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 37.7 mmt180 -129.51 127.65 41.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.717 -0.674 . . . . 3.72 109.911 -178.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 19.3 p -65.31 -41.16 94.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.891 -0.595 . . . . 0.81 110.966 -178.167 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -66.13 -26.12 67.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 1.69 110.416 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 64.3 tt0 -74.18 -39.43 63.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.629 -0.508 . . . . 1.86 109.629 178.336 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.5 tp -61.76 -43.46 98.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.2 110.37 173.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 17' ' ' SER . 79.5 mm-40 -63.11 -46.74 85.9 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.283 0.563 . . . . 2.4 110.154 177.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.464 ' HG3' ' NH2' ' A' ' 25' ' ' ARG . 62.4 ttt180 -52.27 -56.74 12.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.896 -1.047 . . . . 2.56 110.731 175.161 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -58.52 -42.13 87.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.041 -0.527 . . . . 0.14 110.693 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -56.17 -26.92 52.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.267 -0.424 . . . . 2.17 111.142 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.464 ' NH2' ' HG3' ' A' ' 22' ' ' ARG . 24.5 mtm180 -62.04 -16.1 49.38 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.257 -0.429 . . . . 3.06 111.664 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.6 p -75.39 -29.94 59.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.696 0.284 . . . . 0.26 110.72 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.118 0.485 . . . . 0.29 109.888 178.502 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.0 t . . . . . 0 N--CA 1.448 -0.558 0 N-CA-C 110.063 -0.347 . . . . 0.17 110.063 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 t -98.89 28.6 4.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.335 0.588 . . . . 1.49 110.672 -177.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.6 t90 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.49 109.982 177.46 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.465 0.278 0 N-CA-C 112.407 0.521 . . . . 0.34 112.407 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.63 -65.07 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.23 110.119 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.43 66.06 3.11 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 116.063 -0.517 . . . . 0.5 113.379 176.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -118.97 134.61 55.08 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.356 -0.609 . . . . 2.3 109.356 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -111.2 143.87 41.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.053 0.454 . . . . 2.85 112.109 -171.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -137.69 159.17 42.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.3 -0.863 . . . . 0.21 109.412 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -100.15 -15.37 18.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.402 0.62 . . . . 1.14 110.068 177.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -120.73 134.9 55.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.826 -0.625 . . . . 3.72 111.04 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 p -65.21 -32.99 74.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.308 -0.86 . . . . 0.81 110.323 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.45 -36.46 75.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.278 -0.873 . . . . 1.69 110.304 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -75.72 -38.75 58.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.181 -0.918 . . . . 1.86 109.702 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 tp -61.07 -43.63 98.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.617 -0.72 . . . . 0.2 110.369 173.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.26 -44.91 94.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.364 -0.38 . . . . 2.4 110.709 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -56.15 -50.96 69.66 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.022 -0.536 . . . . 2.56 110.128 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -61.18 -44.03 97.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.715 -0.675 . . . . 0.14 111.042 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -50.97 -33.03 22.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.073 -0.512 . . . . 2.17 111.358 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -63.41 -13.8 43.66 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.98 -0.555 . . . . 3.06 112.148 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.5 p -74.48 -38.69 62.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.26 110.609 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 . . . . . 0 C--O 1.235 0.334 0 CA-C-O 121.129 0.49 . . . . 0.29 109.892 178.944 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 109.71 -0.478 . . . . 0.17 109.71 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.6 t -93.38 17.81 10.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.636 -0.711 . . . . 1.49 111.131 -176.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 71.9 t90 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.49 109.854 178.723 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.14 0 N-CA-C 112.17 0.433 . . . . 0.34 112.17 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.8 t -63.6 -60.34 3.46 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.202 -0.454 . . . . 0.23 109.994 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.57 69.76 1.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.282 -0.485 . . . . 0.5 113.233 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -132.5 127.56 35.46 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.477 -0.564 . . . . 2.3 109.477 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -104.08 144.62 31.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.191 0.52 . . . . 2.85 111.623 -173.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -132.88 160.84 35.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.356 -0.838 . . . . 0.21 109.35 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.5 p -103.54 0.68 31.27 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.846 0.355 . . . . 1.14 110.872 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -135.23 136.86 42.07 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.975 -0.557 . . . . 3.72 110.305 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.0 t -69.11 -33.89 74.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.938 -0.573 . . . . 0.81 110.785 -177.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -67.01 -29.6 69.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.925 0.393 . . . . 1.69 110.745 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -74.22 -43.09 58.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.809 -0.632 . . . . 1.86 109.47 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.7 tp -62.64 -41.41 99.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.657 -0.701 . . . . 0.2 110.479 174.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.418 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 6.4 tp60 -60.88 -47.44 86.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.089 0.471 . . . . 2.4 110.389 176.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 22' ' ' ARG . 43.9 ttm180 -54.92 -48.84 72.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.439 -0.8 . . . . 2.56 110.299 176.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -62.71 -46.6 87.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.434 -0.803 . . . . 0.14 111.057 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -58.28 -25.42 61.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.702 0.287 . . . . 2.17 111.369 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 97.7 mtt180 -69.29 -4.36 17.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.532 -0.304 . . . . 3.06 111.665 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.2 p -78.53 -36.99 44.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.112 0.482 . . . . 0.26 109.884 172.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.973 -0.558 . . . . 0.29 109.583 179.156 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.3 t . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 109.506 -0.554 . . . . 0.17 109.506 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.8 p -94.74 23.91 5.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.923 -0.58 . . . . 1.49 111.578 -173.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 62.3 t90 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.522 -0.547 . . . . 0.49 109.522 176.695 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.082 0 N-CA-C 113.03 0.752 . . . . 0.34 113.03 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.4 t -69.61 -67.57 0.47 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.027 -0.36 . . . . 0.23 110.027 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.66 49.03 72.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.287 -0.482 . . . . 0.5 113.476 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -99.54 133.52 43.75 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.401 -0.592 . . . . 2.3 109.401 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -107.83 139.9 41.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.827 0.346 . . . . 2.85 111.677 -171.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -130.88 162.23 30.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.785 -0.643 . . . . 0.21 110.099 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.9 p -100.03 -3.69 31.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.014 0.435 . . . . 1.14 111.006 177.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -133.61 138.19 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.076 -0.511 . . . . 3.72 110.381 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.6 p -71.07 -35.9 72.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.653 -0.703 . . . . 0.81 110.67 -177.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.67 -33.62 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.75 -0.659 . . . . 1.69 110.211 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -73.1 -44.41 60.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.677 -0.692 . . . . 1.86 109.705 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.71 -44.62 96.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.606 -0.725 . . . . 0.2 110.642 175.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -62.54 -44.46 96.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.939 0.4 . . . . 2.4 110.298 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -60.56 -47.34 86.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.833 -0.621 . . . . 2.56 109.993 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -60.24 -44.7 95.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.729 -0.668 . . . . 0.14 110.714 178.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.32 -27.26 55.1 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.777 0.323 . . . . 2.17 111.437 -176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.34 -5.77 20.62 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.123 -0.49 . . . . 3.06 111.791 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.0 p -78.31 -33.56 49.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.901 0.381 . . . . 0.26 110.177 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 . . . . . 0 CA--C 1.517 -0.319 0 CA-C-O 121.123 0.487 . . . . 0.29 109.883 179.155 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--O 1.236 0.385 0 CA-C-O 120.907 0.384 . . . . 0.17 110.342 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 m -89.05 59.32 4.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.692 0.758 . . . . 1.49 110.041 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 74.3 t90 . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 115.219 -0.9 . . . . 0.49 109.245 178.952 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.161 0 N-CA-C 112.339 0.496 . . . . 0.34 112.339 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.4 t -69.89 -66.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.772 -0.455 . . . . 0.23 109.772 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.13 42.48 93.22 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 121.096 -0.573 . . . . 0.5 114.215 173.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -95.18 136.02 36.03 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.18 -0.674 . . . . 2.3 109.18 174.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -109.64 144.11 38.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.102 0.477 . . . . 2.85 111.535 -174.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -131.28 158.69 39.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.53 -0.759 . . . . 0.21 109.969 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.1 p -96.2 -2.55 46.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.411 0.624 . . . . 1.14 110.699 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.514 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 99.2 mtt180 -129.11 132.88 47.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.721 -0.672 . . . . 3.72 109.984 -178.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 p -68.31 -39.68 81.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.874 -0.603 . . . . 0.81 110.858 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.32 -25.09 64.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 1.69 110.492 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 30.6 tt0 -74.3 -40.91 61.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.898 -0.778 . . . . 1.86 108.898 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.3 tp -60.78 -45.9 92.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.599 -0.728 . . . . 0.2 110.408 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.77 -45.57 93.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.391 -0.368 . . . . 2.4 111.188 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -58.89 -50.43 74.03 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.878 -0.416 . . . . 2.56 109.878 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -56.24 -46.73 79.48 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.98 -0.554 . . . . 0.14 110.522 177.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -54.99 -30.99 60.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.308 -0.406 . . . . 2.17 111.634 -177.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -68.76 -5.91 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.42 -0.354 . . . . 3.06 111.899 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 p -74.12 -35.42 64.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.337 0.589 . . . . 0.26 109.517 171.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 . . . . . 0 N--CA 1.452 -0.352 0 CA-C-N 115.59 -0.732 . . . . 0.29 109.233 177.574 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 109.915 -0.402 . . . . 3.28 109.915 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -81.66 128.65 6.11 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.132 1.888 . . . . 0.96 112.282 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 97.8 m-85 -108.36 149.38 28.77 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.207 -0.451 . . . . 0.69 110.195 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.9 t -79.17 106.04 10.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.151 -0.477 . . . . 0.17 109.734 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 t -95.12 18.21 12.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 1.49 110.893 -176.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.429 ' CE3' ' HB2' ' A' ' 8' ' ' NVA . 57.0 t90 -66.5 105.13 1.41 Allowed 'General case' 0 C--O 1.237 0.412 0 N-CA-C 109.745 -0.465 . . . . 0.49 109.745 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' NVA . . . . . 0.429 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.99 44.67 1.0 Allowed 'General case' 0 C--N 1.349 0.557 0 O-C-N 121.033 -1.042 . . . . 0.34 112.382 175.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.4 t -77.8 -67.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.47 -0.332 . . . . 0.23 110.154 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 62.74 65.71 2.98 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 114.183 0.433 . . . . 0.5 114.183 174.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -120.72 139.08 53.58 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.065 -0.346 . . . . 2.3 110.065 172.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -110.23 141.94 42.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.93 0.395 . . . . 2.85 111.247 -172.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -135.53 160.67 37.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.91 -0.586 . . . . 0.21 109.764 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 p -105.62 -4.88 20.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.998 0.427 . . . . 1.14 110.895 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -129.47 140.39 51.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.071 -0.513 . . . . 3.72 110.485 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 11.2 p -71.25 -32.77 69.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.785 -0.643 . . . . 0.81 110.237 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.39 -31.41 72.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.496 -0.775 . . . . 1.69 110.41 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.472 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 9.3 tp10 -78.3 -42.33 31.11 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.729 -0.669 . . . . 1.86 109.727 -178.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 tp -61.86 -43.75 98.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.2 110.542 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 48.3 tt0 -63.04 -44.79 94.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.967 0.413 . . . . 2.4 110.234 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.472 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 48.2 ttt180 -55.38 -49.5 72.14 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.749 -0.66 . . . . 2.56 110.265 176.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -61.03 -44.65 97.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.816 -0.629 . . . . 0.14 110.801 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -55.67 -26.71 46.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.13 -0.486 . . . . 2.17 111.326 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 58.3 mtp180 -60.71 -18.57 55.07 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.017 -0.538 . . . . 3.06 111.353 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.2 p -72.23 -32.41 66.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.26 110.788 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -91.53 -48.45 6.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.157 0.503 . . . . 0.29 110.594 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -157.3 -161.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.827 -0.624 . . . . 1.71 110.149 -171.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.12 -67.65 0.54 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.075 -0.583 . . . . 2.59 111.758 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -128.0 40.87 3.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.26 0.553 . . . . 5.72 110.638 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -129.56 86.01 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.79 -0.641 . . . . 7.96 110.184 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.795 0 CA-C-N 115.903 -0.59 . . . . 5.68 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.133 -0.321 . . . . 3.28 110.133 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -85.89 144.03 8.38 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.498 2.132 . . . . 0.96 112.468 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.501 ' HB3' HD22 ' A' ' 20' ' ' LEU . 98.4 m-85 -125.37 138.02 54.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.09 -0.504 . . . . 0.69 109.708 177.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.5 t -81.71 101.61 10.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.946 -0.57 . . . . 0.17 110.229 176.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.9 p -85.47 27.95 0.79 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.857 -0.611 . . . . 1.49 111.502 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -86.25 103.17 14.61 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.46 -0.57 . . . . 0.49 109.46 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.6 25.35 5.19 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.107 -0.995 . . . . 0.34 112.099 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.5 t -64.45 -67.9 0.4 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.746 -0.464 . . . . 0.23 109.746 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.78 38.61 94.19 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.875 -0.679 . . . . 0.5 113.293 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -81.1 133.19 35.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.435 -0.58 . . . . 2.3 109.435 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -105.62 148.43 27.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.911 0.386 . . . . 2.85 111.348 -175.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -141.6 160.01 41.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.458 -0.792 . . . . 0.21 109.64 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.1 p -101.39 -10.28 20.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.124 0.488 . . . . 1.14 110.582 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -125.87 135.38 51.87 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.698 -0.683 . . . . 3.72 110.53 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.466 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 6.1 p -69.73 -32.86 71.65 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.652 -0.703 . . . . 0.81 110.909 -175.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -62.38 -34.3 76.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.879 -0.6 . . . . 1.69 110.108 175.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 4.8 tp10 -72.25 -41.04 67.24 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.83 -0.623 . . . . 1.86 109.834 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 3' ' ' PHE . 42.1 tp -62.13 -48.07 81.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.989 -0.551 . . . . 0.2 110.87 176.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 29.1 tt0 -62.12 -42.82 99.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.127 0.489 . . . . 2.4 110.337 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.492 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 52.3 ttt180 -55.65 -53.92 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.61 -0.723 . . . . 2.56 109.863 176.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -60.12 -46.34 89.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.593 -0.73 . . . . 0.14 111.073 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -56.91 -30.98 64.43 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.881 0.372 . . . . 2.17 111.216 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 78.7 mtm180 -69.94 -4.01 18.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.072 -0.513 . . . . 3.06 111.988 -177.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.0 p -80.28 -34.34 37.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.002 0.43 . . . . 0.26 109.896 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -76.79 -52.46 9.5 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.459 0.647 . . . . 0.29 109.38 177.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.8 m -155.62 131.22 9.73 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.04 -0.982 . . . . 1.71 109.656 -177.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.85 -72.71 0.29 Allowed Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.628 -0.796 . . . . 2.59 112.318 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -135.95 -78.87 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.812 -0.228 . . . . 5.72 111.516 -175.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt 62.65 85.74 0.12 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.597 0.713 . . . . 7.96 110.033 -175.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 115.852 -0.613 . . . . 5.68 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.885 -0.413 . . . . 3.28 109.885 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -83.31 113.37 2.04 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.258 1.972 . . . . 0.96 112.271 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 98.4 m-85 -96.49 145.47 25.66 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.738 -0.664 . . . . 0.69 109.252 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.2 t -82.12 97.61 8.27 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.381 -0.827 . . . . 0.17 109.417 172.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.0 p -84.64 13.19 5.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.722 -0.672 . . . . 1.49 111.498 -176.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.424 ' CE3' ' HB2' ' A' ' 8' ' ' NVA . 73.0 t90 -62.5 106.52 0.78 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.077 -0.51 . . . . 0.49 109.681 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' NVA . . . . . 0.424 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.46 33.57 3.1 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.888 -1.133 . . . . 0.34 112.571 177.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.03 -63.92 0.96 Allowed 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.645 -0.502 . . . . 0.23 109.645 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 60.39 46.51 94.18 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.94 -0.647 . . . . 0.5 113.185 174.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -101.67 129.34 47.79 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.44 -0.578 . . . . 2.3 109.44 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 3' ' ' PHE . 66.1 mtt85 -106.65 146.23 30.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.1 0.476 . . . . 2.85 111.77 -173.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -135.76 168.98 18.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.305 -0.861 . . . . 0.21 109.685 -178.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.2 m -108.88 -5.26 16.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.595 0.712 . . . . 1.14 109.981 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.464 ' HB3' ' OD2' ' A' ' 18' ' ' ASP . 39.8 mtp180 -126.5 133.01 51.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.679 -0.691 . . . . 3.72 110.522 178.563 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.0 p -68.25 -36.99 80.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.81 110.593 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.464 ' OD2' ' HB3' ' A' ' 16' ' ' ARG . 7.6 p-10 -66.42 -29.83 70.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.714 -0.675 . . . . 1.69 110.304 177.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.446 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 15.3 tp10 -70.91 -40.67 72.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.371 -0.603 . . . . 1.86 109.371 177.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.435 HD22 ' HB3' ' A' ' 3' ' ' PHE . 37.5 tp -61.23 -46.08 91.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.501 -0.772 . . . . 0.2 110.795 175.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 73.2 mt-30 -59.56 -47.0 87.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.083 0.468 . . . . 2.4 110.052 177.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.446 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 54.4 ttt180 -52.39 -54.03 37.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.199 -0.909 . . . . 2.56 110.306 176.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -59.64 -44.68 93.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.798 -0.637 . . . . 0.14 111.03 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -59.15 -23.4 62.15 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.804 0.335 . . . . 2.17 111.137 -175.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 98.7 mtt180 -65.22 -13.26 57.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.339 -0.392 . . . . 3.06 111.667 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.4 p -78.69 -22.92 45.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.26 110.746 176.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -91.17 -50.66 5.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.388 0.613 . . . . 0.29 109.364 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.0 t -138.58 93.02 2.68 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.446 -0.797 . . . . 1.71 110.295 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.29 60.25 0.27 Allowed Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.695 -0.684 . . . . 2.59 111.693 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -150.44 27.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.064 0.459 . . . . 5.72 110.333 -177.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -89.93 -74.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.978 -0.555 . . . . 7.96 110.758 -176.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 116.503 -0.317 . . . . 5.68 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 110.058 -0.349 . . . . 3.28 110.058 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.18 110.25 2.78 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.034 1.823 . . . . 0.96 111.478 173.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 98.9 m-85 -92.27 142.33 27.59 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.103 -0.703 . . . . 0.69 109.103 176.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.6 t -78.94 103.82 9.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.525 -0.761 . . . . 0.17 109.573 175.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.6 p -91.21 19.66 5.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.78 -0.646 . . . . 1.49 111.167 -176.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.439 ' CE3' ' HB2' ' A' ' 8' ' ' NVA . 43.2 t90 -68.85 108.16 3.35 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.09 -0.505 . . . . 0.49 109.835 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' NVA . . . . . 0.439 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.14 27.61 6.51 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.795 -1.191 . . . . 0.34 112.607 176.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.57 -63.28 1.17 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.424 -0.353 . . . . 0.23 110.653 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.74 57.95 16.96 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.03 -0.605 . . . . 0.5 113.079 177.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -107.07 134.02 50.82 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.485 -0.561 . . . . 2.3 109.485 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -110.15 145.42 37.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.119 0.485 . . . . 2.85 112.053 -174.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -136.81 163.32 30.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.363 -0.835 . . . . 0.21 109.947 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.5 p -104.95 -11.55 16.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.254 0.55 . . . . 1.14 110.113 176.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 69.5 mtm180 -122.75 133.33 54.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.624 -0.717 . . . . 3.72 110.38 -175.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 10.3 p -66.45 -40.35 89.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.632 -0.713 . . . . 0.81 111.633 -176.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -65.14 -25.28 67.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.855 0.36 . . . . 1.69 110.411 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.429 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 6.0 tp10 -72.86 -43.01 63.09 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.886 -0.597 . . . . 1.86 109.685 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 tp -59.52 -46.38 89.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.69 -0.687 . . . . 0.2 110.671 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 75.1 mm-40 -61.58 -46.83 88.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 2.4 110.451 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -56.28 -48.96 75.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.642 -0.708 . . . . 2.56 110.35 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -61.14 -49.06 78.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.651 -0.704 . . . . 0.14 111.021 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -60.86 -21.36 63.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.713 0.292 . . . . 2.17 111.605 -174.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 49.8 mtp180 -68.61 -10.65 57.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.828 -0.349 . . . . 3.06 111.439 177.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.6 p -77.08 -24.32 51.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 0.26 110.115 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -90.69 -60.45 1.91 Allowed 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.29 109.32 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.2 p -121.34 71.87 0.97 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.985 -1.007 . . . . 1.71 111.271 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.39 -35.16 34.09 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.835 -0.906 . . . . 2.59 110.835 174.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 57.02 29.96 17.35 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.059 0.543 . . . . 5.72 112.12 174.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -131.26 -79.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.024 0.44 . . . . 7.96 110.14 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 116.415 -0.357 . . . . 5.68 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.86 -0.422 . . . . 3.28 109.86 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.92 97.12 1.05 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.282 1.988 . . . . 0.96 112.513 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.452 ' HB3' HD22 ' A' ' 20' ' ' LEU . 91.3 m-85 -83.88 101.27 11.54 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.366 -0.605 . . . . 0.69 109.366 175.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.7 t -82.14 104.64 12.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.457 -0.792 . . . . 0.17 109.767 174.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.9 p -92.8 20.33 6.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.822 -0.626 . . . . 1.49 111.43 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.5 t90 -68.32 106.69 2.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.49 110.019 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.66 36.2 1.98 Allowed 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.943 -1.098 . . . . 0.34 112.077 176.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.7 t -70.91 -67.69 0.49 Allowed 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.155 -0.313 . . . . 0.23 110.155 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.28 67.59 2.1 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 121.159 -0.543 . . . . 0.5 113.272 175.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -125.16 130.33 51.94 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.417 -0.586 . . . . 2.3 109.417 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 13' ' ' ARG . 62.7 mtt85 -106.78 142.36 36.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.02 0.438 . . . . 2.85 111.6 -173.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -130.72 158.56 39.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.583 -0.735 . . . . 0.21 109.768 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.429 HG23 ' HG3' ' A' ' 16' ' ' ARG . 6.2 t -96.43 -5.75 38.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.883 0.373 . . . . 1.14 110.498 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HG3' HG23 ' A' ' 15' ' ' THR . 71.0 mtm-85 -129.24 134.63 48.06 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.07 -0.514 . . . . 3.72 110.476 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 p -71.04 -31.24 67.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.816 -0.629 . . . . 0.81 110.739 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -64.52 -34.01 77.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.993 -0.549 . . . . 1.69 109.972 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 9.8 tp10 -72.07 -39.78 68.75 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.6 -0.727 . . . . 1.86 109.601 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 3' ' ' PHE . 47.8 tp -61.81 -47.74 83.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.887 -0.597 . . . . 0.2 110.776 175.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -61.14 -44.57 97.12 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.217 0.532 . . . . 2.4 110.261 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 60.9 ttt180 -54.18 -53.3 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.406 -0.815 . . . . 2.56 109.837 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.95 -44.6 91.45 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.578 -0.737 . . . . 0.14 110.986 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -55.6 -29.44 59.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.273 -0.421 . . . . 2.17 111.267 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.663 ' HA ' ' O ' ' A' ' 28' ' ' THR . 92.1 mtt180 -65.74 -10.1 33.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.194 -0.457 . . . . 3.06 112.118 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -74.84 -32.46 61.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.025 0.44 . . . . 0.26 110.158 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -85.46 -39.41 17.53 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.002 -0.545 . . . . 0.29 109.696 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.663 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 11.4 t -159.99 134.02 7.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.529 -0.76 . . . . 1.71 109.654 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.61 -37.36 67.96 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.566 -0.743 . . . . 2.59 113.604 -171.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -160.82 149.36 16.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.907 0.354 . . . . 5.72 110.316 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -157.73 95.42 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.081 -0.509 . . . . 7.96 109.742 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.405 -0.362 . . . . 5.68 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 110.221 -0.288 . . . . 3.28 110.221 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.51 99.49 1.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.228 1.952 . . . . 0.96 110.759 171.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.552 ' HB3' HD22 ' A' ' 20' ' ' LEU . 99.9 m-85 -78.55 104.45 9.17 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.453 -0.573 . . . . 0.69 109.453 -178.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.29 98.98 0.66 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.43 -0.805 . . . . 0.17 109.991 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 m -90.83 30.58 1.17 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.525 0.678 . . . . 1.49 110.193 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.428 ' CE3' ' HB2' ' A' ' 8' ' ' NVA . 48.9 t90 -80.22 108.79 14.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.719 -0.673 . . . . 0.49 109.444 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' NVA . . . . . 0.428 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.55 33.54 3.12 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.938 -1.101 . . . . 0.34 112.441 176.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.5 t -68.59 -67.75 0.45 Allowed 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.515 -0.311 . . . . 0.23 110.212 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 60.88 64.29 4.21 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.201 -0.523 . . . . 0.5 113.626 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' HD2' ' CE1' ' A' ' 23' ' ' HIS . 63.0 mttp -120.75 134.86 55.27 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.89 -0.411 . . . . 2.3 109.89 176.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -107.03 139.73 40.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.071 0.462 . . . . 2.85 111.418 -175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -131.37 150.52 52.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.477 -0.783 . . . . 0.21 109.422 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 p -94.44 3.76 54.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.081 0.467 . . . . 1.14 110.711 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 37.7 mmt180 -129.51 127.65 41.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.717 -0.674 . . . . 3.72 109.911 -178.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 19.3 p -65.31 -41.16 94.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.891 -0.595 . . . . 0.81 110.966 -178.167 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -66.13 -26.12 67.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 1.69 110.416 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 64.3 tt0 -74.18 -39.43 63.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.629 -0.508 . . . . 1.86 109.629 178.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.552 HD22 ' HB3' ' A' ' 3' ' ' PHE . 49.5 tp -61.76 -43.46 98.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.2 110.37 173.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 17' ' ' SER . 79.5 mm-40 -63.11 -46.74 85.9 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.283 0.563 . . . . 2.4 110.154 177.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.464 ' HG3' ' NH2' ' A' ' 25' ' ' ARG . 62.4 ttt180 -52.27 -56.74 12.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.896 -1.047 . . . . 2.56 110.731 175.161 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.447 ' CE1' ' HD2' ' A' ' 12' ' ' LYS . 37.5 t60 -58.52 -42.13 87.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.041 -0.527 . . . . 0.14 110.693 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -56.17 -26.92 52.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.267 -0.424 . . . . 2.17 111.142 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.464 ' NH2' ' HG3' ' A' ' 22' ' ' ARG . 24.5 mtm180 -62.04 -16.1 49.38 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.257 -0.429 . . . . 3.06 111.664 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.6 p -75.39 -29.94 59.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.696 0.284 . . . . 0.26 110.72 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -90.73 -52.04 5.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.118 0.485 . . . . 0.29 109.888 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.7 p -123.28 65.68 0.99 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.584 -0.735 . . . . 1.71 111.073 -176.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -145.14 28.11 1.84 Allowed Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.428 -0.669 . . . . 2.59 111.428 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -66.07 -34.1 77.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.967 0.413 . . . . 5.72 110.562 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -151.63 86.98 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.201 0.524 . . . . 7.96 109.619 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 116.233 -0.44 . . . . 5.68 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 110.346 -0.242 . . . . 3.28 110.346 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -86.49 141.93 6.88 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 122.267 1.978 . . . . 0.96 111.802 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 98.7 m-85 -122.46 141.53 51.52 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.629 -0.508 . . . . 0.69 109.629 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.0 t -82.51 110.08 17.3 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.606 -0.725 . . . . 0.17 110.063 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 t -98.89 28.6 4.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.335 0.588 . . . . 1.49 110.672 -177.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -72.71 105.06 4.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.49 109.982 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.59 35.01 3.01 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.881 -1.137 . . . . 0.34 112.407 174.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.63 -65.07 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.23 110.119 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.43 66.06 3.11 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 116.063 -0.517 . . . . 0.5 113.379 176.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -118.97 134.61 55.08 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.356 -0.609 . . . . 2.3 109.356 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -111.2 143.87 41.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.053 0.454 . . . . 2.85 112.109 -171.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -137.69 159.17 42.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.3 -0.863 . . . . 0.21 109.412 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -100.15 -15.37 18.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.402 0.62 . . . . 1.14 110.068 177.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -120.73 134.9 55.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.826 -0.625 . . . . 3.72 111.04 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.521 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 4.0 p -65.21 -32.99 74.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.308 -0.86 . . . . 0.81 110.323 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.45 -36.46 75.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.278 -0.873 . . . . 1.69 110.304 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -75.72 -38.75 58.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.181 -0.918 . . . . 1.86 109.702 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 tp -61.07 -43.63 98.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.617 -0.72 . . . . 0.2 110.369 173.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.26 -44.91 94.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.364 -0.38 . . . . 2.4 110.709 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -56.15 -50.96 69.66 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.022 -0.536 . . . . 2.56 110.128 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -61.18 -44.03 97.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.715 -0.675 . . . . 0.14 111.042 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -50.97 -33.03 22.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.073 -0.512 . . . . 2.17 111.358 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' A' ' 28' ' ' THR . 83.6 mtp180 -63.41 -13.8 43.66 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.98 -0.555 . . . . 3.06 112.148 -177.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.5 p -74.48 -38.69 62.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.26 110.609 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -83.57 -36.54 23.9 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.129 0.49 . . . . 0.29 109.892 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 9.0 t -154.82 124.14 6.39 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.722 -0.672 . . . . 1.71 110.15 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -144.65 -48.37 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.55 -0.833 . . . . 2.59 111.765 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -83.4 60.94 5.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.418 0.628 . . . . 5.72 109.815 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -123.52 -73.29 0.65 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.404 -0.816 . . . . 7.96 109.915 -176.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 116.33 -0.395 . . . . 5.68 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 95.5 mtt180 . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.132 -0.321 . . . . 3.28 110.132 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 17.6 Cg_exo -66.77 105.64 0.97 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.207 1.938 . . . . 0.96 111.772 176.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.489 ' HB3' HD22 ' A' ' 20' ' ' LEU . 94.5 m-85 -78.98 99.02 6.66 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.289 -0.634 . . . . 0.69 109.289 178.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.6 t -79.91 106.31 11.84 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.71 -0.478 . . . . 0.17 109.71 173.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.6 t -93.38 17.81 10.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.636 -0.711 . . . . 1.49 111.131 -176.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.405 ' CE3' ' HB2' ' A' ' 8' ' ' NVA . 71.9 t90 -67.42 105.48 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.49 109.854 178.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' NVA . . . . . 0.405 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.13 36.23 2.86 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.973 -1.08 . . . . 0.34 112.17 175.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.8 t -63.6 -60.34 3.46 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.202 -0.454 . . . . 0.23 109.994 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.57 69.76 1.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.282 -0.485 . . . . 0.5 113.233 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -132.5 127.56 35.46 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.477 -0.564 . . . . 2.3 109.477 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -104.08 144.62 31.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.191 0.52 . . . . 2.85 111.623 -173.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -132.88 160.84 35.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.356 -0.838 . . . . 0.21 109.35 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.5 p -103.54 0.68 31.27 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.846 0.355 . . . . 1.14 110.872 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -135.23 136.86 42.07 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.975 -0.557 . . . . 3.72 110.305 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.0 t -69.11 -33.89 74.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.938 -0.573 . . . . 0.81 110.785 -177.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -67.01 -29.6 69.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.925 0.393 . . . . 1.69 110.745 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -74.22 -43.09 58.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.809 -0.632 . . . . 1.86 109.47 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 3' ' ' PHE . 45.7 tp -62.64 -41.41 99.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.657 -0.701 . . . . 0.2 110.479 174.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.418 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 6.4 tp60 -60.88 -47.44 86.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.089 0.471 . . . . 2.4 110.389 176.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 22' ' ' ARG . 43.9 ttm180 -54.92 -48.84 72.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.439 -0.8 . . . . 2.56 110.299 176.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -62.71 -46.6 87.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.434 -0.803 . . . . 0.14 111.057 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -58.28 -25.42 61.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.702 0.287 . . . . 2.17 111.369 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 97.7 mtt180 -69.29 -4.36 17.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.532 -0.304 . . . . 3.06 111.665 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.2 p -78.53 -36.99 44.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.112 0.482 . . . . 0.26 109.884 172.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -83.4 -54.54 4.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.973 -0.558 . . . . 0.29 109.583 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.9 p -113.55 75.09 0.9 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.496 -0.775 . . . . 1.71 110.428 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -116.96 161.19 13.15 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.742 -0.742 . . . . 2.59 111.717 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -122.2 80.24 1.69 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.754 -0.462 . . . . 5.72 109.754 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -86.82 74.56 9.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.715 -0.675 . . . . 7.96 110.594 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.807 0 CA-C-N 115.983 -0.553 . . . . 5.68 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 . . . . . 0 N--CA 1.482 1.135 0 N-CA-C 110.188 -0.301 . . . . 3.28 110.188 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.55 97.16 0.69 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.49 2.127 . . . . 0.96 112.453 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.437 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 90.6 m-85 -85.23 91.93 8.28 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.299 -0.63 . . . . 0.69 109.299 175.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.3 t -75.51 107.99 8.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.842 -0.617 . . . . 0.17 109.506 174.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.8 p -94.74 23.91 5.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.923 -0.58 . . . . 1.49 111.578 -173.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.492 ' CE3' ' HG2' ' A' ' 8' ' ' NVA . 62.3 t90 -72.04 103.1 3.15 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.522 -0.547 . . . . 0.49 109.522 176.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' NVA . . . . . 0.492 ' HG2' ' CE3' ' A' ' 7' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.19 18.33 22.5 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 121.37 -0.831 . . . . 0.34 113.03 -172.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.4 t -69.61 -67.57 0.47 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.027 -0.36 . . . . 0.23 110.027 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.66 49.03 72.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.287 -0.482 . . . . 0.5 113.476 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -99.54 133.52 43.75 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.401 -0.592 . . . . 2.3 109.401 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -107.83 139.9 41.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.827 0.346 . . . . 2.85 111.677 -171.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -130.88 162.23 30.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.785 -0.643 . . . . 0.21 110.099 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.9 p -100.03 -3.69 31.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.014 0.435 . . . . 1.14 111.006 177.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -133.61 138.19 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.076 -0.511 . . . . 3.72 110.381 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.437 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 14.6 p -71.07 -35.9 72.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.653 -0.703 . . . . 0.81 110.67 -177.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.67 -33.62 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.75 -0.659 . . . . 1.69 110.211 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -73.1 -44.41 60.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.677 -0.692 . . . . 1.86 109.705 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.71 -44.62 96.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.606 -0.725 . . . . 0.2 110.642 175.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -62.54 -44.46 96.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.939 0.4 . . . . 2.4 110.298 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -60.56 -47.34 86.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.833 -0.621 . . . . 2.56 109.993 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -60.24 -44.7 95.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.729 -0.668 . . . . 0.14 110.714 178.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.32 -27.26 55.1 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.777 0.323 . . . . 2.17 111.437 -176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.34 -5.77 20.62 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.123 -0.49 . . . . 3.06 111.791 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.0 p -78.31 -33.56 49.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.901 0.381 . . . . 0.26 110.177 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -88.82 -62.65 1.44 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.123 0.487 . . . . 0.29 109.883 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 28' ' ' THR . 5.1 t -166.43 86.34 0.31 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.227 -0.897 . . . . 1.71 110.375 -174.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -153.43 14.63 0.63 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.748 -0.739 . . . . 2.59 112.037 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -126.28 65.61 1.23 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.383 0.611 . . . . 5.72 109.976 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.8 -64.79 1.01 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.086 0.469 . . . . 7.96 110.396 -178.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 116.127 -0.488 . . . . 5.68 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 1' ' ' ARG . 44.3 mtm180 . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 110.437 -0.208 . . . . 3.28 110.437 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -83.25 132.16 5.98 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.453 2.102 . . . . 0.96 112.193 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.503 ' HB3' HD22 ' A' ' 20' ' ' LEU . 99.3 m-85 -92.88 106.31 18.3 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.882 -0.599 . . . . 0.69 109.813 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.5 t -72.41 98.3 2.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.839 -0.619 . . . . 0.17 110.342 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 m -89.05 59.32 4.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.692 0.758 . . . . 1.49 110.041 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TRP . . . . . 0.437 ' CE3' ' HB2' ' A' ' 8' ' ' NVA . 74.3 t90 -116.44 109.65 17.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.219 -0.9 . . . . 0.49 109.245 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' NVA . . . . . 0.437 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.0 35.03 3.39 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.928 -1.107 . . . . 0.34 112.339 174.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.4 t -69.89 -66.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.772 -0.455 . . . . 0.23 109.772 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.13 42.48 93.22 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 121.096 -0.573 . . . . 0.5 114.215 173.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -95.18 136.02 36.03 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.18 -0.674 . . . . 2.3 109.18 174.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -109.64 144.11 38.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.102 0.477 . . . . 2.85 111.535 -174.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -131.28 158.69 39.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.53 -0.759 . . . . 0.21 109.969 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.1 p -96.2 -2.55 46.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.411 0.624 . . . . 1.14 110.699 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.514 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 99.2 mtt180 -129.11 132.88 47.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.721 -0.672 . . . . 3.72 109.984 -178.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.433 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 5.8 p -68.31 -39.68 81.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.874 -0.603 . . . . 0.81 110.858 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.32 -25.09 64.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 1.69 110.492 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 30.6 tt0 -74.3 -40.91 61.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.898 -0.778 . . . . 1.86 108.898 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 3' ' ' PHE . 35.3 tp -60.78 -45.9 92.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.599 -0.728 . . . . 0.2 110.408 172.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.77 -45.57 93.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.391 -0.368 . . . . 2.4 111.188 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -58.89 -50.43 74.03 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.878 -0.416 . . . . 2.56 109.878 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -56.24 -46.73 79.48 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.98 -0.554 . . . . 0.14 110.522 177.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -54.99 -30.99 60.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.308 -0.406 . . . . 2.17 111.634 -177.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -68.76 -5.91 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.42 -0.354 . . . . 3.06 111.899 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 p -74.12 -35.42 64.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.337 0.589 . . . . 0.26 109.517 171.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -80.07 -54.48 5.74 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.59 -0.732 . . . . 0.29 109.233 177.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 t -166.93 137.39 3.11 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.709 -0.678 . . . . 1.71 110.817 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.2 -29.97 5.24 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.359 -0.696 . . . . 2.59 111.359 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -161.4 145.01 12.8 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.415 -0.587 . . . . 5.72 109.415 178.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.3 tptt 57.61 69.77 0.71 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.778 0.799 . . . . 7.96 109.983 -176.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 0 CA-C-N 115.662 -0.699 . . . . 5.68 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.449 -0.518 0 N-CA-C 109.734 -0.469 . . . . 0.17 109.734 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 t -95.12 18.21 12.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 1.49 110.893 -176.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 57.0 t90 . . . . . 0 C--O 1.237 0.412 0 N-CA-C 109.745 -0.465 . . . . 0.49 109.745 179.21 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.291 0 N-CA-C 112.382 0.512 . . . . 0.34 112.382 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.4 t -77.8 -67.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.47 -0.332 . . . . 0.23 110.154 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 62.74 65.71 2.98 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 114.183 0.433 . . . . 0.5 114.183 174.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -120.72 139.08 53.58 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.065 -0.346 . . . . 2.3 110.065 172.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -110.23 141.94 42.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.93 0.395 . . . . 2.85 111.247 -172.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -135.53 160.67 37.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.91 -0.586 . . . . 0.21 109.764 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 p -105.62 -4.88 20.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.998 0.427 . . . . 1.14 110.895 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -129.47 140.39 51.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.071 -0.513 . . . . 3.72 110.485 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.2 p -71.25 -32.77 69.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.785 -0.643 . . . . 0.81 110.237 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.39 -31.41 72.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.496 -0.775 . . . . 1.69 110.41 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.472 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 9.3 tp10 -78.3 -42.33 31.11 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.729 -0.669 . . . . 1.86 109.727 -178.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 tp -61.86 -43.75 98.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.2 110.542 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 7.7 tt0 -63.04 -44.79 94.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.967 0.413 . . . . 2.4 110.234 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.472 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 48.2 ttt180 -55.38 -49.5 72.14 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.749 -0.66 . . . . 2.56 110.265 176.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -61.03 -44.65 97.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.816 -0.629 . . . . 0.14 110.801 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -55.67 -26.71 46.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.13 -0.486 . . . . 2.17 111.326 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 58.3 mtp180 -60.71 -18.57 55.07 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.017 -0.538 . . . . 3.06 111.353 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.2 p -72.23 -32.41 66.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.26 110.788 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 121.157 0.503 . . . . 0.29 110.594 -178.709 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.5 t . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 121.041 0.448 . . . . 0.17 110.229 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.9 p -85.47 27.95 0.79 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.857 -0.611 . . . . 1.49 111.502 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.3 t90 . . . . . 0 N--CA 1.446 -0.63 0 N-CA-C 109.46 -0.57 . . . . 0.49 109.46 178.847 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.465 0.285 0 N-CA-C 112.099 0.407 . . . . 0.34 112.099 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.5 t -64.45 -67.9 0.4 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.746 -0.464 . . . . 0.23 109.746 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.78 38.61 94.19 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.875 -0.679 . . . . 0.5 113.293 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -81.1 133.19 35.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.435 -0.58 . . . . 2.3 109.435 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -105.62 148.43 27.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.911 0.386 . . . . 2.85 111.348 -175.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -141.6 160.01 41.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.458 -0.792 . . . . 0.21 109.64 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.1 p -101.39 -10.28 20.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.124 0.488 . . . . 1.14 110.582 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -125.87 135.38 51.87 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.698 -0.683 . . . . 3.72 110.53 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 p -69.73 -32.86 71.65 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.652 -0.703 . . . . 0.81 110.909 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -62.38 -34.3 76.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.879 -0.6 . . . . 1.69 110.108 175.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.492 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 4.8 tp10 -72.25 -41.04 67.24 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.83 -0.623 . . . . 1.86 109.834 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.1 tp -62.13 -48.07 81.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.989 -0.551 . . . . 0.2 110.87 176.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 29.1 tt0 -62.12 -42.82 99.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.127 0.489 . . . . 2.4 110.337 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.492 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 52.3 ttt180 -55.65 -53.92 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.61 -0.723 . . . . 2.56 109.863 176.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -60.12 -46.34 89.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.593 -0.73 . . . . 0.14 111.073 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -56.91 -30.98 64.43 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.881 0.372 . . . . 2.17 111.216 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 78.7 mtm180 -69.94 -4.01 18.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.072 -0.513 . . . . 3.06 111.988 -177.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.0 p -80.28 -34.34 37.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.002 0.43 . . . . 0.26 109.896 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 . . . . . 0 CA--C 1.517 -0.303 0 CA-C-O 121.459 0.647 . . . . 0.29 109.38 177.461 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.2 t . . . . . 0 N--CA 1.445 -0.704 0 N-CA-C 109.417 -0.586 . . . . 0.17 109.417 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.0 p -84.64 13.19 5.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.722 -0.672 . . . . 1.49 111.498 -176.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 73.0 t90 . . . . . 0 C--O 1.235 0.307 0 CA-C-N 116.077 -0.51 . . . . 0.49 109.681 177.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.466 0.345 0 N-CA-C 112.571 0.582 . . . . 0.34 112.571 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.03 -63.92 0.96 Allowed 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.645 -0.502 . . . . 0.23 109.645 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 60.39 46.51 94.18 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.94 -0.647 . . . . 0.5 113.185 174.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -101.67 129.34 47.79 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.44 -0.578 . . . . 2.3 109.44 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 66.1 mtt85 -106.65 146.23 30.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.1 0.476 . . . . 2.85 111.77 -173.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -135.76 168.98 18.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.305 -0.861 . . . . 0.21 109.685 -178.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.2 m -108.88 -5.26 16.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.595 0.712 . . . . 1.14 109.981 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.464 ' HB3' ' OD2' ' A' ' 18' ' ' ASP . 39.8 mtp180 -126.5 133.01 51.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.679 -0.691 . . . . 3.72 110.522 178.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.0 p -68.25 -36.99 80.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.81 110.593 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.464 ' OD2' ' HB3' ' A' ' 16' ' ' ARG . 7.6 p-10 -66.42 -29.83 70.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.714 -0.675 . . . . 1.69 110.304 177.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.446 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 15.3 tp10 -70.91 -40.67 72.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.371 -0.603 . . . . 1.86 109.371 177.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.5 tp -61.23 -46.08 91.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.501 -0.772 . . . . 0.2 110.795 175.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 73.2 mt-30 -59.56 -47.0 87.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.083 0.468 . . . . 2.4 110.052 177.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.446 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 54.4 ttt180 -52.39 -54.03 37.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.199 -0.909 . . . . 2.56 110.306 176.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -59.64 -44.68 93.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.798 -0.637 . . . . 0.14 111.03 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -59.15 -23.4 62.15 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.804 0.335 . . . . 2.17 111.137 -175.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 98.7 mtt180 -65.22 -13.26 57.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.339 -0.392 . . . . 3.06 111.667 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.4 p -78.69 -22.92 45.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.26 110.746 176.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 121.388 0.613 . . . . 0.29 109.364 175.95 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 109.573 -0.528 . . . . 0.17 109.573 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.6 p -91.21 19.66 5.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.78 -0.646 . . . . 1.49 111.167 -176.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 43.2 t90 . . . . . 0 N--CA 1.45 -0.439 0 CA-C-N 116.09 -0.505 . . . . 0.49 109.835 179.301 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.468 0.443 0 N-CA-C 112.607 0.595 . . . . 0.34 112.607 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.57 -63.28 1.17 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.424 -0.353 . . . . 0.23 110.653 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.74 57.95 16.96 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.03 -0.605 . . . . 0.5 113.079 177.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -107.07 134.02 50.82 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.485 -0.561 . . . . 2.3 109.485 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -110.15 145.42 37.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.119 0.485 . . . . 2.85 112.053 -174.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -136.81 163.32 30.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.363 -0.835 . . . . 0.21 109.947 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.5 p -104.95 -11.55 16.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.254 0.55 . . . . 1.14 110.113 176.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 69.5 mtm180 -122.75 133.33 54.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.624 -0.717 . . . . 3.72 110.38 -175.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 10.3 p -66.45 -40.35 89.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.632 -0.713 . . . . 0.81 111.633 -176.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -65.14 -25.28 67.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.855 0.36 . . . . 1.69 110.411 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.429 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 6.0 tp10 -72.86 -43.01 63.09 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.886 -0.597 . . . . 1.86 109.685 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 tp -59.52 -46.38 89.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.69 -0.687 . . . . 0.2 110.671 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 75.1 mm-40 -61.58 -46.83 88.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 2.4 110.451 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -56.28 -48.96 75.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.642 -0.708 . . . . 2.56 110.35 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -61.14 -49.06 78.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.651 -0.704 . . . . 0.14 111.021 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -60.86 -21.36 63.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.713 0.292 . . . . 2.17 111.605 -174.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 49.8 mtp180 -68.61 -10.65 57.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.828 -0.349 . . . . 3.06 111.439 177.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.6 p -77.08 -24.32 51.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 0.26 110.115 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 . . . . . 0 CA--C 1.518 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.29 109.32 175.242 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.448 -0.569 0 N-CA-C 109.767 -0.457 . . . . 0.17 109.767 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.9 p -92.8 20.33 6.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.822 -0.626 . . . . 1.49 111.43 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.5 t90 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.49 110.019 179.3 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.465 0.293 0 N-CA-C 112.077 0.399 . . . . 0.34 112.077 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.7 t -70.91 -67.69 0.49 Allowed 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.155 -0.313 . . . . 0.23 110.155 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.28 67.59 2.1 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 121.159 -0.543 . . . . 0.5 113.272 175.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -125.16 130.33 51.94 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.417 -0.586 . . . . 2.3 109.417 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 13' ' ' ARG . 62.7 mtt85 -106.78 142.36 36.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.02 0.438 . . . . 2.85 111.6 -173.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -130.72 158.56 39.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.583 -0.735 . . . . 0.21 109.768 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.429 HG23 ' HG3' ' A' ' 16' ' ' ARG . 6.2 t -96.43 -5.75 38.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.883 0.373 . . . . 1.14 110.498 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HG3' HG23 ' A' ' 15' ' ' THR . 71.0 mtm-85 -129.24 134.63 48.06 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.07 -0.514 . . . . 3.72 110.476 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 p -71.04 -31.24 67.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.816 -0.629 . . . . 0.81 110.739 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -64.52 -34.01 77.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.993 -0.549 . . . . 1.69 109.972 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 9.8 tp10 -72.07 -39.78 68.75 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.6 -0.727 . . . . 1.86 109.601 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.8 tp -61.81 -47.74 83.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.887 -0.597 . . . . 0.2 110.776 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -61.14 -44.57 97.12 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.217 0.532 . . . . 2.4 110.261 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.421 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 60.9 ttt180 -54.18 -53.3 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.406 -0.815 . . . . 2.56 109.837 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.95 -44.6 91.45 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.578 -0.737 . . . . 0.14 110.986 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -55.6 -29.44 59.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.273 -0.421 . . . . 2.17 111.267 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -65.74 -10.1 33.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.194 -0.457 . . . . 3.06 112.118 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -74.84 -32.46 61.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.025 0.44 . . . . 0.26 110.158 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 . . . . . 0 C--O 1.232 0.154 0 CA-C-N 116.002 -0.545 . . . . 0.29 109.696 178.011 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.8 t . . . . . 0 N--CA 1.446 -0.651 0 CA-C-O 121.04 0.448 . . . . 0.17 109.991 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 m -90.83 30.58 1.17 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.525 0.678 . . . . 1.49 110.193 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 48.9 t90 . . . . . 0 N--CA 1.45 -0.461 0 CA-C-N 115.719 -0.673 . . . . 0.49 109.444 179.212 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.464 0.275 0 N-CA-C 112.441 0.534 . . . . 0.34 112.441 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.5 t -68.59 -67.75 0.45 Allowed 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.515 -0.311 . . . . 0.23 110.212 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 60.88 64.29 4.21 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.201 -0.523 . . . . 0.5 113.626 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.447 ' HD2' ' CE1' ' A' ' 23' ' ' HIS . 63.0 mttp -120.75 134.86 55.27 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.89 -0.411 . . . . 2.3 109.89 176.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -107.03 139.73 40.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.071 0.462 . . . . 2.85 111.418 -175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -131.37 150.52 52.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.477 -0.783 . . . . 0.21 109.422 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 p -94.44 3.76 54.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.081 0.467 . . . . 1.14 110.711 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 37.7 mmt180 -129.51 127.65 41.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.717 -0.674 . . . . 3.72 109.911 -178.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 19.3 p -65.31 -41.16 94.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.891 -0.595 . . . . 0.81 110.966 -178.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -66.13 -26.12 67.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 1.69 110.416 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 64.3 tt0 -74.18 -39.43 63.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.629 -0.508 . . . . 1.86 109.629 178.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.5 tp -61.76 -43.46 98.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.2 110.37 173.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 17' ' ' SER . 79.5 mm-40 -63.11 -46.74 85.9 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.283 0.563 . . . . 2.4 110.154 177.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.464 ' HG3' ' NH2' ' A' ' 25' ' ' ARG . 62.4 ttt180 -52.27 -56.74 12.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.896 -1.047 . . . . 2.56 110.731 175.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.447 ' CE1' ' HD2' ' A' ' 12' ' ' LYS . 37.5 t60 -58.52 -42.13 87.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.041 -0.527 . . . . 0.14 110.693 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -56.17 -26.92 52.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.267 -0.424 . . . . 2.17 111.142 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.464 ' NH2' ' HG3' ' A' ' 22' ' ' ARG . 24.5 mtm180 -62.04 -16.1 49.38 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.257 -0.429 . . . . 3.06 111.664 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.6 p -75.39 -29.94 59.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.696 0.284 . . . . 0.26 110.72 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.118 0.485 . . . . 0.29 109.888 178.502 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.0 t . . . . . 0 N--CA 1.448 -0.558 0 N-CA-C 110.063 -0.347 . . . . 0.17 110.063 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 t -98.89 28.6 4.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.335 0.588 . . . . 1.49 110.672 -177.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.6 t90 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.49 109.982 177.46 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.465 0.278 0 N-CA-C 112.407 0.521 . . . . 0.34 112.407 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.63 -65.07 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.23 110.119 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.43 66.06 3.11 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 116.063 -0.517 . . . . 0.5 113.379 176.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -118.97 134.61 55.08 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.356 -0.609 . . . . 2.3 109.356 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -111.2 143.87 41.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.053 0.454 . . . . 2.85 112.109 -171.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -137.69 159.17 42.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.3 -0.863 . . . . 0.21 109.412 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -100.15 -15.37 18.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.402 0.62 . . . . 1.14 110.068 177.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -120.73 134.9 55.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.826 -0.625 . . . . 3.72 111.04 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.0 p -65.21 -32.99 74.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.308 -0.86 . . . . 0.81 110.323 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.45 -36.46 75.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.278 -0.873 . . . . 1.69 110.304 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -75.72 -38.75 58.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.181 -0.918 . . . . 1.86 109.702 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 tp -61.07 -43.63 98.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.617 -0.72 . . . . 0.2 110.369 173.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.26 -44.91 94.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.364 -0.38 . . . . 2.4 110.709 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -56.15 -50.96 69.66 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.022 -0.536 . . . . 2.56 110.128 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -61.18 -44.03 97.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.715 -0.675 . . . . 0.14 111.042 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -50.97 -33.03 22.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.073 -0.512 . . . . 2.17 111.358 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -63.41 -13.8 43.66 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.98 -0.555 . . . . 3.06 112.148 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.5 p -74.48 -38.69 62.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.26 110.609 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 . . . . . 0 C--O 1.235 0.334 0 CA-C-O 121.129 0.49 . . . . 0.29 109.892 178.944 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.45 -0.446 0 N-CA-C 109.71 -0.478 . . . . 0.17 109.71 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.6 t -93.38 17.81 10.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.636 -0.711 . . . . 1.49 111.131 -176.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 71.9 t90 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.49 109.854 178.723 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.14 0 N-CA-C 112.17 0.433 . . . . 0.34 112.17 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.8 t -63.6 -60.34 3.46 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.202 -0.454 . . . . 0.23 109.994 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.57 69.76 1.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.282 -0.485 . . . . 0.5 113.233 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -132.5 127.56 35.46 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.477 -0.564 . . . . 2.3 109.477 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -104.08 144.62 31.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.191 0.52 . . . . 2.85 111.623 -173.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -132.88 160.84 35.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.356 -0.838 . . . . 0.21 109.35 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.5 p -103.54 0.68 31.27 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.846 0.355 . . . . 1.14 110.872 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -135.23 136.86 42.07 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.975 -0.557 . . . . 3.72 110.305 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.0 t -69.11 -33.89 74.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.938 -0.573 . . . . 0.81 110.785 -177.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -67.01 -29.6 69.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.925 0.393 . . . . 1.69 110.745 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -74.22 -43.09 58.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.809 -0.632 . . . . 1.86 109.47 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.7 tp -62.64 -41.41 99.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.657 -0.701 . . . . 0.2 110.479 174.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.418 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 6.4 tp60 -60.88 -47.44 86.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.089 0.471 . . . . 2.4 110.389 176.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 22' ' ' ARG . 43.9 ttm180 -54.92 -48.84 72.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.439 -0.8 . . . . 2.56 110.299 176.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -62.71 -46.6 87.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.434 -0.803 . . . . 0.14 111.057 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -58.28 -25.42 61.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.702 0.287 . . . . 2.17 111.369 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 97.7 mtt180 -69.29 -4.36 17.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.532 -0.304 . . . . 3.06 111.665 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.2 p -78.53 -36.99 44.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.112 0.482 . . . . 0.26 109.884 172.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.973 -0.558 . . . . 0.29 109.583 179.156 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.3 t . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 109.506 -0.554 . . . . 0.17 109.506 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.8 p -94.74 23.91 5.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.923 -0.58 . . . . 1.49 111.578 -173.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 62.3 t90 . . . . . 0 N--CA 1.451 -0.379 0 N-CA-C 109.522 -0.547 . . . . 0.49 109.522 176.695 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.082 0 N-CA-C 113.03 0.752 . . . . 0.34 113.03 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.4 t -69.61 -67.57 0.47 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.027 -0.36 . . . . 0.23 110.027 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.66 49.03 72.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.287 -0.482 . . . . 0.5 113.476 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -99.54 133.52 43.75 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.401 -0.592 . . . . 2.3 109.401 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -107.83 139.9 41.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.827 0.346 . . . . 2.85 111.677 -171.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -130.88 162.23 30.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.785 -0.643 . . . . 0.21 110.099 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.9 p -100.03 -3.69 31.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.014 0.435 . . . . 1.14 111.006 177.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -133.61 138.19 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.076 -0.511 . . . . 3.72 110.381 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.6 p -71.07 -35.9 72.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.653 -0.703 . . . . 0.81 110.67 -177.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.67 -33.62 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.75 -0.659 . . . . 1.69 110.211 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -73.1 -44.41 60.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.677 -0.692 . . . . 1.86 109.705 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.71 -44.62 96.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.606 -0.725 . . . . 0.2 110.642 175.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -62.54 -44.46 96.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.939 0.4 . . . . 2.4 110.298 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -60.56 -47.34 86.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.833 -0.621 . . . . 2.56 109.993 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -60.24 -44.7 95.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.729 -0.668 . . . . 0.14 110.714 178.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.32 -27.26 55.1 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.777 0.323 . . . . 2.17 111.437 -176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.34 -5.77 20.62 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.123 -0.49 . . . . 3.06 111.791 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.0 p -78.31 -33.56 49.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.901 0.381 . . . . 0.26 110.177 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 . . . . . 0 CA--C 1.517 -0.319 0 CA-C-O 121.123 0.487 . . . . 0.29 109.883 179.155 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.5 t . . . . . 0 C--O 1.236 0.385 0 CA-C-O 120.907 0.384 . . . . 0.17 110.342 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 m -89.05 59.32 4.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.692 0.758 . . . . 1.49 110.041 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 74.3 t90 . . . . . 0 C--N 1.32 -0.677 0 CA-C-N 115.219 -0.9 . . . . 0.49 109.245 178.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.161 0 N-CA-C 112.339 0.496 . . . . 0.34 112.339 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.4 t -69.89 -66.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.772 -0.455 . . . . 0.23 109.772 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.13 42.48 93.22 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 121.096 -0.573 . . . . 0.5 114.215 173.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -95.18 136.02 36.03 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.18 -0.674 . . . . 2.3 109.18 174.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -109.64 144.11 38.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.102 0.477 . . . . 2.85 111.535 -174.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -131.28 158.69 39.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.53 -0.759 . . . . 0.21 109.969 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.1 p -96.2 -2.55 46.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.411 0.624 . . . . 1.14 110.699 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.514 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 99.2 mtt180 -129.11 132.88 47.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.721 -0.672 . . . . 3.72 109.984 -178.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.8 p -68.31 -39.68 81.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.874 -0.603 . . . . 0.81 110.858 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.32 -25.09 64.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 1.69 110.492 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 30.6 tt0 -74.3 -40.91 61.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.898 -0.778 . . . . 1.86 108.898 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.3 tp -60.78 -45.9 92.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.599 -0.728 . . . . 0.2 110.408 172.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.77 -45.57 93.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.391 -0.368 . . . . 2.4 111.188 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -58.89 -50.43 74.03 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.878 -0.416 . . . . 2.56 109.878 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -56.24 -46.73 79.48 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.98 -0.554 . . . . 0.14 110.522 177.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -54.99 -30.99 60.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.308 -0.406 . . . . 2.17 111.634 -177.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -68.76 -5.91 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.42 -0.354 . . . . 3.06 111.899 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 p -74.12 -35.42 64.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.337 0.589 . . . . 0.26 109.517 171.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 . . . . . 0 N--CA 1.452 -0.352 0 CA-C-N 115.59 -0.732 . . . . 0.29 109.233 177.574 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 . . . . . 0 N--CA 1.48 1.043 0 N-CA-C 109.915 -0.402 . . . . 3.28 109.915 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -81.66 128.65 6.11 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 122.132 1.888 . . . . 0.96 112.282 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 97.8 m-85 -108.36 149.38 28.77 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.207 -0.451 . . . . 0.69 110.195 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.9 t -79.17 106.04 10.92 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.151 -0.477 . . . . 0.17 109.734 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 t -95.12 18.21 12.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 1.49 110.893 -176.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.429 ' CE3' ' HB2' ' A' ' 8' ' ' NVA . 57.0 t90 -66.5 105.13 1.41 Allowed 'General case' 0 C--O 1.237 0.412 0 N-CA-C 109.745 -0.465 . . . . 0.49 109.745 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' NVA . . . . . 0.429 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.99 44.67 1.0 Allowed 'General case' 0 C--N 1.349 0.557 0 O-C-N 121.033 -1.042 . . . . 0.34 112.382 175.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.4 t -77.8 -67.47 0.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.47 -0.332 . . . . 0.23 110.154 177.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 62.74 65.71 2.98 Favored Glycine 0 N--CA 1.45 -0.403 0 N-CA-C 114.183 0.433 . . . . 0.5 114.183 174.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -120.72 139.08 53.58 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.065 -0.346 . . . . 2.3 110.065 172.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -110.23 141.94 42.5 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.93 0.395 . . . . 2.85 111.247 -172.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -135.53 160.67 37.74 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.91 -0.586 . . . . 0.21 109.764 -178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.7 p -105.62 -4.88 20.58 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.998 0.427 . . . . 1.14 110.895 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.0 mtm180 -129.47 140.39 51.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.071 -0.513 . . . . 3.72 110.485 179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 11.2 p -71.25 -32.77 69.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.785 -0.643 . . . . 0.81 110.237 -179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -63.39 -31.41 72.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.496 -0.775 . . . . 1.69 110.41 175.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.472 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 9.3 tp10 -78.3 -42.33 31.11 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.729 -0.669 . . . . 1.86 109.727 -178.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.8 tp -61.86 -43.75 98.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.2 110.542 176.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 7.7 tt0 -63.04 -44.79 94.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.967 0.413 . . . . 2.4 110.234 178.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.472 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 48.2 ttt180 -55.38 -49.5 72.14 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.749 -0.66 . . . . 2.56 110.265 176.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.0 t60 -61.03 -44.65 97.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.816 -0.629 . . . . 0.14 110.801 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -55.67 -26.71 46.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.13 -0.486 . . . . 2.17 111.326 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 58.3 mtp180 -60.71 -18.57 55.07 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.017 -0.538 . . . . 3.06 111.353 178.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.2 p -72.23 -32.41 66.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.26 110.788 178.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -91.53 -48.45 6.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.157 0.503 . . . . 0.29 110.594 -178.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.4 t -157.3 -161.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.827 -0.624 . . . . 1.71 110.149 -171.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.12 -67.65 0.54 Allowed Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 121.075 -0.583 . . . . 2.59 111.758 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -128.0 40.87 3.6 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.26 0.553 . . . . 5.72 110.638 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -129.56 86.01 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.79 -0.641 . . . . 7.96 110.184 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.795 0 CA-C-N 115.903 -0.59 . . . . 5.68 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.133 -0.321 . . . . 3.28 110.133 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -85.89 144.03 8.38 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.498 2.132 . . . . 0.96 112.468 177.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.501 ' HB3' HD22 ' A' ' 20' ' ' LEU . 98.4 m-85 -125.37 138.02 54.04 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.09 -0.504 . . . . 0.69 109.708 177.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 44.5 t -81.71 101.61 10.2 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.946 -0.57 . . . . 0.17 110.229 176.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.9 p -85.47 27.95 0.79 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.857 -0.611 . . . . 1.49 111.502 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -86.25 103.17 14.61 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 109.46 -0.57 . . . . 0.49 109.46 178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.6 25.35 5.19 Favored 'General case' 0 C--N 1.35 0.6 0 O-C-N 121.107 -0.995 . . . . 0.34 112.099 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.5 t -64.45 -67.9 0.4 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.746 -0.464 . . . . 0.23 109.746 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.78 38.61 94.19 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.875 -0.679 . . . . 0.5 113.293 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -81.1 133.19 35.43 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.435 -0.58 . . . . 2.3 109.435 175.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -105.62 148.43 27.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.911 0.386 . . . . 2.85 111.348 -175.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -141.6 160.01 41.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.458 -0.792 . . . . 0.21 109.64 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.1 p -101.39 -10.28 20.38 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.124 0.488 . . . . 1.14 110.582 178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -125.87 135.38 51.87 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.698 -0.683 . . . . 3.72 110.53 -178.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.466 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 6.1 p -69.73 -32.86 71.65 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.652 -0.703 . . . . 0.81 110.909 -175.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -62.38 -34.3 76.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.879 -0.6 . . . . 1.69 110.108 175.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.492 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 4.8 tp10 -72.25 -41.04 67.24 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.83 -0.623 . . . . 1.86 109.834 -178.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.501 HD22 ' HB3' ' A' ' 3' ' ' PHE . 42.1 tp -62.13 -48.07 81.75 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.989 -0.551 . . . . 0.2 110.87 176.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 29.1 tt0 -62.12 -42.82 99.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.127 0.489 . . . . 2.4 110.337 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.492 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 52.3 ttt180 -55.65 -53.92 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.61 -0.723 . . . . 2.56 109.863 176.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 19.4 t60 -60.12 -46.34 89.95 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.593 -0.73 . . . . 0.14 111.073 179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -56.91 -30.98 64.43 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 120.881 0.372 . . . . 2.17 111.216 -175.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 78.7 mtm180 -69.94 -4.01 18.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.072 -0.513 . . . . 3.06 111.988 -177.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.0 p -80.28 -34.34 37.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.002 0.43 . . . . 0.26 109.896 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -76.79 -52.46 9.5 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.459 0.647 . . . . 0.29 109.38 177.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 57.8 m -155.62 131.22 9.73 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.04 -0.982 . . . . 1.71 109.656 -177.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.85 -72.71 0.29 Allowed Glycine 0 N--CA 1.444 -0.815 0 C-N-CA 120.628 -0.796 . . . . 2.59 112.318 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -135.95 -78.87 0.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.812 -0.228 . . . . 5.72 111.516 -175.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt 62.65 85.74 0.12 Allowed 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.597 0.713 . . . . 7.96 110.033 -175.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 115.852 -0.613 . . . . 5.68 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.885 -0.413 . . . . 3.28 109.885 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -83.31 113.37 2.04 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.258 1.972 . . . . 0.96 112.271 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.474 ' O ' ' HA ' ' A' ' 13' ' ' ARG . 98.4 m-85 -96.49 145.47 25.66 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.738 -0.664 . . . . 0.69 109.252 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 51.2 t -82.12 97.61 8.27 Favored 'General case' 0 N--CA 1.445 -0.704 0 CA-C-N 115.381 -0.827 . . . . 0.17 109.417 172.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.0 p -84.64 13.19 5.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.722 -0.672 . . . . 1.49 111.498 -176.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.424 ' CE3' ' HB2' ' A' ' 8' ' ' NVA . 73.0 t90 -62.5 106.52 0.78 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.077 -0.51 . . . . 0.49 109.681 177.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' NVA . . . . . 0.424 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.46 33.57 3.1 Favored 'General case' 0 C--N 1.35 0.598 0 O-C-N 120.888 -1.133 . . . . 0.34 112.571 177.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.03 -63.92 0.96 Allowed 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.645 -0.502 . . . . 0.23 109.645 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 60.39 46.51 94.18 Favored Glycine 0 N--CA 1.453 -0.215 0 C-N-CA 120.94 -0.647 . . . . 0.5 113.185 174.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.5 tttp -101.67 129.34 47.79 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.44 -0.578 . . . . 2.3 109.44 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 3' ' ' PHE . 66.1 mtt85 -106.65 146.23 30.99 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.1 0.476 . . . . 2.85 111.77 -173.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -135.76 168.98 18.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.305 -0.861 . . . . 0.21 109.685 -178.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.2 m -108.88 -5.26 16.26 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.595 0.712 . . . . 1.14 109.981 176.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.464 ' HB3' ' OD2' ' A' ' 18' ' ' ASP . 39.8 mtp180 -126.5 133.01 51.27 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.679 -0.691 . . . . 3.72 110.522 178.563 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.0 p -68.25 -36.99 80.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.896 -0.593 . . . . 0.81 110.593 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.464 ' OD2' ' HB3' ' A' ' 16' ' ' ARG . 7.6 p-10 -66.42 -29.83 70.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.714 -0.675 . . . . 1.69 110.304 177.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.446 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 15.3 tp10 -70.91 -40.67 72.0 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.371 -0.603 . . . . 1.86 109.371 177.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.435 HD22 ' HB3' ' A' ' 3' ' ' PHE . 37.5 tp -61.23 -46.08 91.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.501 -0.772 . . . . 0.2 110.795 175.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.493 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 73.2 mt-30 -59.56 -47.0 87.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.083 0.468 . . . . 2.4 110.052 177.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.446 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 54.4 ttt180 -52.39 -54.03 37.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.199 -0.909 . . . . 2.56 110.306 176.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -59.64 -44.68 93.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.798 -0.637 . . . . 0.14 111.03 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.9 ttmm -59.15 -23.4 62.15 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.804 0.335 . . . . 2.17 111.137 -175.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 98.7 mtt180 -65.22 -13.26 57.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.339 -0.392 . . . . 3.06 111.667 178.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.4 p -78.69 -22.92 45.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.26 110.746 176.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -91.17 -50.66 5.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.388 0.613 . . . . 0.29 109.364 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.0 t -138.58 93.02 2.68 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.446 -0.797 . . . . 1.71 110.295 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -163.29 60.25 0.27 Allowed Glycine 0 N--CA 1.446 -0.658 0 CA-C-N 115.695 -0.684 . . . . 2.59 111.693 -179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -150.44 27.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.064 0.459 . . . . 5.72 110.333 -177.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -89.93 -74.94 0.47 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.978 -0.555 . . . . 7.96 110.758 -176.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 116.503 -0.317 . . . . 5.68 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 . . . . . 0 N--CA 1.477 0.886 0 N-CA-C 110.058 -0.349 . . . . 3.28 110.058 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.18 110.25 2.78 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 122.034 1.823 . . . . 0.96 111.478 173.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 17' ' ' SER . 98.9 m-85 -92.27 142.33 27.59 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.103 -0.703 . . . . 0.69 109.103 176.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 29.6 t -78.94 103.82 9.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.525 -0.761 . . . . 0.17 109.573 175.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.6 p -91.21 19.66 5.71 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.78 -0.646 . . . . 1.49 111.167 -176.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.439 ' CE3' ' HB2' ' A' ' 8' ' ' NVA . 43.2 t90 -68.85 108.16 3.35 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.09 -0.505 . . . . 0.49 109.835 179.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' NVA . . . . . 0.439 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.14 27.61 6.51 Favored 'General case' 0 C--N 1.35 0.614 0 O-C-N 120.795 -1.191 . . . . 0.34 112.607 176.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 53.8 t -64.57 -63.28 1.17 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.424 -0.353 . . . . 0.23 110.653 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.74 57.95 16.96 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.03 -0.605 . . . . 0.5 113.079 177.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -107.07 134.02 50.82 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.485 -0.561 . . . . 2.3 109.485 178.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 69.8 mtm180 -110.15 145.42 37.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.119 0.485 . . . . 2.85 112.053 -174.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -136.81 163.32 30.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.363 -0.835 . . . . 0.21 109.947 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 30.5 p -104.95 -11.55 16.63 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.254 0.55 . . . . 1.14 110.113 176.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 69.5 mtm180 -122.75 133.33 54.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.624 -0.717 . . . . 3.72 110.38 -175.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 3' ' ' PHE . 10.3 p -66.45 -40.35 89.4 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.632 -0.713 . . . . 0.81 111.633 -176.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -65.14 -25.28 67.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.855 0.36 . . . . 1.69 110.411 177.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.429 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 6.0 tp10 -72.86 -43.01 63.09 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 115.886 -0.597 . . . . 1.86 109.685 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 tp -59.52 -46.38 89.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.69 -0.687 . . . . 0.2 110.671 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.517 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 75.1 mm-40 -61.58 -46.83 88.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 2.4 110.451 179.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 45.6 ttm180 -56.28 -48.96 75.57 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.642 -0.708 . . . . 2.56 110.35 177.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -61.14 -49.06 78.75 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.651 -0.704 . . . . 0.14 111.021 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -60.86 -21.36 63.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.713 0.292 . . . . 2.17 111.605 -174.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 49.8 mtp180 -68.61 -10.65 57.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.828 -0.349 . . . . 3.06 111.439 177.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.6 p -77.08 -24.32 51.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.86 0.362 . . . . 0.26 110.115 175.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -90.69 -60.45 1.91 Allowed 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.623 0.725 . . . . 0.29 109.32 175.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.2 p -121.34 71.87 0.97 Allowed 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.985 -1.007 . . . . 1.71 111.271 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -78.39 -35.16 34.09 Favored Glycine 0 N--CA 1.447 -0.586 0 N-CA-C 110.835 -0.906 . . . . 2.59 110.835 174.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 57.02 29.96 17.35 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.059 0.543 . . . . 5.72 112.12 174.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -131.26 -79.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.024 0.44 . . . . 7.96 110.14 177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.609 0 CA-C-N 116.415 -0.357 . . . . 5.68 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.86 -0.422 . . . . 3.28 109.86 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -79.92 97.12 1.05 Allowed 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 122.282 1.988 . . . . 0.96 112.513 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.452 ' HB3' HD22 ' A' ' 20' ' ' LEU . 91.3 m-85 -83.88 101.27 11.54 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.366 -0.605 . . . . 0.69 109.366 175.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 43.7 t -82.14 104.64 12.62 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.457 -0.792 . . . . 0.17 109.767 174.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.9 p -92.8 20.33 6.65 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.822 -0.626 . . . . 1.49 111.43 -177.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 49.5 t90 -68.32 106.69 2.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.264 -0.425 . . . . 0.49 110.019 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.66 36.2 1.98 Allowed 'General case' 0 C--N 1.349 0.544 0 O-C-N 120.943 -1.098 . . . . 0.34 112.077 176.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 48.7 t -70.91 -67.69 0.49 Allowed 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 110.155 -0.313 . . . . 0.23 110.155 177.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 59.28 67.59 2.1 Favored Glycine 0 C--N 1.332 0.338 0 C-N-CA 121.159 -0.543 . . . . 0.5 113.272 175.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -125.16 130.33 51.94 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.417 -0.586 . . . . 2.3 109.417 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 13' ' ' ARG . 62.7 mtt85 -106.78 142.36 36.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.02 0.438 . . . . 2.85 111.6 -173.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -130.72 158.56 39.77 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.583 -0.735 . . . . 0.21 109.768 179.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.429 HG23 ' HG3' ' A' ' 16' ' ' ARG . 6.2 t -96.43 -5.75 38.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.883 0.373 . . . . 1.14 110.498 176.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HG3' HG23 ' A' ' 15' ' ' THR . 71.0 mtm-85 -129.24 134.63 48.06 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.07 -0.514 . . . . 3.72 110.476 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.2 p -71.04 -31.24 67.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.816 -0.629 . . . . 0.81 110.739 -177.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -64.52 -34.01 77.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.993 -0.549 . . . . 1.69 109.972 175.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' OE1' ' HD3' ' A' ' 22' ' ' ARG . 9.8 tp10 -72.07 -39.78 68.75 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.6 -0.727 . . . . 1.86 109.601 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 3' ' ' PHE . 47.8 tp -61.81 -47.74 83.75 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.887 -0.597 . . . . 0.2 110.776 175.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -61.14 -44.57 97.12 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 121.217 0.532 . . . . 2.4 110.261 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.421 ' HD3' ' OE1' ' A' ' 19' ' ' GLU . 60.9 ttt180 -54.18 -53.3 55.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.406 -0.815 . . . . 2.56 109.837 176.208 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -58.95 -44.6 91.45 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.578 -0.737 . . . . 0.14 110.986 178.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -55.6 -29.44 59.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.273 -0.421 . . . . 2.17 111.267 -176.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.663 ' HA ' ' O ' ' A' ' 28' ' ' THR . 92.1 mtt180 -65.74 -10.1 33.98 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.194 -0.457 . . . . 3.06 112.118 -179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 80.8 p -74.84 -32.46 61.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.025 0.44 . . . . 0.26 110.158 175.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -85.46 -39.41 17.53 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.002 -0.545 . . . . 0.29 109.696 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.663 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 11.4 t -159.99 134.02 7.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.529 -0.76 . . . . 1.71 109.654 178.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -70.61 -37.36 67.96 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.566 -0.743 . . . . 2.59 113.604 -171.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -160.82 149.36 16.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.907 0.354 . . . . 5.72 110.316 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.2 ttmt -157.73 95.42 1.42 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.081 -0.509 . . . . 7.96 109.742 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.405 -0.362 . . . . 5.68 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 34.2 ttm180 . . . . . 0 N--CA 1.478 0.973 0 N-CA-C 110.221 -0.288 . . . . 3.28 110.221 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.51 99.49 1.28 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.228 1.952 . . . . 0.96 110.759 171.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.552 ' HB3' HD22 ' A' ' 20' ' ' LEU . 99.9 m-85 -78.55 104.45 9.17 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.453 -0.573 . . . . 0.69 109.453 -178.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 49.8 t -67.29 98.98 0.66 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.43 -0.805 . . . . 0.17 109.991 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.9 m -90.83 30.58 1.17 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.525 0.678 . . . . 1.49 110.193 -177.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.428 ' CE3' ' HB2' ' A' ' 8' ' ' NVA . 48.9 t90 -80.22 108.79 14.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.719 -0.673 . . . . 0.49 109.444 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' NVA . . . . . 0.428 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -102.55 33.54 3.12 Favored 'General case' 0 C--N 1.35 0.626 0 O-C-N 120.938 -1.101 . . . . 0.34 112.441 176.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 44.5 t -68.59 -67.75 0.45 Allowed 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 116.515 -0.311 . . . . 0.23 110.212 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 60.88 64.29 4.21 Favored Glycine 0 CA--C 1.519 0.31 0 C-N-CA 121.201 -0.523 . . . . 0.5 113.626 174.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.447 ' HD2' ' CE1' ' A' ' 23' ' ' HIS . 63.0 mttp -120.75 134.86 55.27 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.89 -0.411 . . . . 2.3 109.89 176.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -107.03 139.73 40.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.071 0.462 . . . . 2.85 111.418 -175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -131.37 150.52 52.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.477 -0.783 . . . . 0.21 109.422 178.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.1 p -94.44 3.76 54.75 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.081 0.467 . . . . 1.14 110.711 177.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.443 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 37.7 mmt180 -129.51 127.65 41.23 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.717 -0.674 . . . . 3.72 109.911 -178.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 21' ' ' GLN . 19.3 p -65.31 -41.16 94.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.891 -0.595 . . . . 0.81 110.966 -178.167 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -66.13 -26.12 67.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 1.69 110.416 178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.443 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 64.3 tt0 -74.18 -39.43 63.21 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.629 -0.508 . . . . 1.86 109.629 178.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.552 HD22 ' HB3' ' A' ' 3' ' ' PHE . 49.5 tp -61.76 -43.46 98.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.2 110.37 173.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 17' ' ' SER . 79.5 mm-40 -63.11 -46.74 85.9 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.283 0.563 . . . . 2.4 110.154 177.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.464 ' HG3' ' NH2' ' A' ' 25' ' ' ARG . 62.4 ttt180 -52.27 -56.74 12.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.896 -1.047 . . . . 2.56 110.731 175.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.447 ' CE1' ' HD2' ' A' ' 12' ' ' LYS . 37.5 t60 -58.52 -42.13 87.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.041 -0.527 . . . . 0.14 110.693 178.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? -56.17 -26.92 52.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.267 -0.424 . . . . 2.17 111.142 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.464 ' NH2' ' HG3' ' A' ' 22' ' ' ARG . 24.5 mtm180 -62.04 -16.1 49.38 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 116.257 -0.429 . . . . 3.06 111.664 179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.6 p -75.39 -29.94 59.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.696 0.284 . . . . 0.26 110.72 178.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -90.73 -52.04 5.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.118 0.485 . . . . 0.29 109.888 178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.7 p -123.28 65.68 0.99 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.584 -0.735 . . . . 1.71 111.073 -176.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -145.14 28.11 1.84 Allowed Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.428 -0.669 . . . . 2.59 111.428 178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -66.07 -34.1 77.3 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.967 0.413 . . . . 5.72 110.562 -178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -151.63 86.98 1.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.201 0.524 . . . . 7.96 109.619 177.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.744 0 CA-C-N 116.233 -0.44 . . . . 5.68 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 74.3 mtm180 . . . . . 0 N--CA 1.483 1.208 0 N-CA-C 110.346 -0.242 . . . . 3.28 110.346 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_endo -86.49 141.93 6.88 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 C-N-CA 122.267 1.978 . . . . 0.96 111.802 176.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.521 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 98.7 m-85 -122.46 141.53 51.52 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.629 -0.508 . . . . 0.69 109.629 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.0 t -82.51 110.08 17.3 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.606 -0.725 . . . . 0.17 110.063 176.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 t -98.89 28.6 4.24 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.335 0.588 . . . . 1.49 110.672 -177.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 67.6 t90 -72.71 105.06 4.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.135 -0.484 . . . . 0.49 109.982 177.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' NVA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -105.59 35.01 3.01 Favored 'General case' 0 C--N 1.349 0.586 0 O-C-N 120.881 -1.137 . . . . 0.34 112.407 174.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.0 t -67.63 -65.07 0.74 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.352 -0.386 . . . . 0.23 110.119 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.43 66.06 3.11 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 116.063 -0.517 . . . . 0.5 113.379 176.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.2 tttp -118.97 134.61 55.08 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.356 -0.609 . . . . 2.3 109.356 176.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.8 mtt180 -111.2 143.87 41.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.053 0.454 . . . . 2.85 112.109 -171.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -137.69 159.17 42.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.3 -0.863 . . . . 0.21 109.412 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.4 m -100.15 -15.37 18.17 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.402 0.62 . . . . 1.14 110.068 177.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.4 mmm180 -120.73 134.9 55.26 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.826 -0.625 . . . . 3.72 111.04 178.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.521 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 4.0 p -65.21 -32.99 74.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.308 -0.86 . . . . 0.81 110.323 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.45 -36.46 75.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.278 -0.873 . . . . 1.69 110.304 177.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -75.72 -38.75 58.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.181 -0.918 . . . . 1.86 109.702 -177.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 tp -61.07 -43.63 98.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.617 -0.72 . . . . 0.2 110.369 173.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -60.26 -44.91 94.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.364 -0.38 . . . . 2.4 110.709 177.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -56.15 -50.96 69.66 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.022 -0.536 . . . . 2.56 110.128 176.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 60.7 t60 -61.18 -44.03 97.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.715 -0.675 . . . . 0.14 111.042 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -50.97 -33.03 22.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.073 -0.512 . . . . 2.17 111.358 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.522 ' HA ' ' O ' ' A' ' 28' ' ' THR . 83.6 mtp180 -63.41 -13.8 43.66 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 115.98 -0.555 . . . . 3.06 112.148 -177.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 77.5 p -74.48 -38.69 62.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.844 0.354 . . . . 0.26 110.609 178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -83.57 -36.54 23.9 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.129 0.49 . . . . 0.29 109.892 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.522 ' O ' ' HA ' ' A' ' 25' ' ' ARG . 9.0 t -154.82 124.14 6.39 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.722 -0.672 . . . . 1.71 110.15 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -144.65 -48.37 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.55 -0.833 . . . . 2.59 111.765 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -83.4 60.94 5.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.418 0.628 . . . . 5.72 109.815 179.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -123.52 -73.29 0.65 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.404 -0.816 . . . . 7.96 109.915 -176.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.629 0 CA-C-N 116.33 -0.395 . . . . 5.68 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 2' ' ' PRO . 95.5 mtt180 . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.132 -0.321 . . . . 3.28 110.132 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 1' ' ' ARG . 17.6 Cg_exo -66.77 105.64 0.97 Allowed 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.207 1.938 . . . . 0.96 111.772 176.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.489 ' HB3' HD22 ' A' ' 20' ' ' LEU . 94.5 m-85 -78.98 99.02 6.66 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.289 -0.634 . . . . 0.69 109.289 178.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 47.6 t -79.91 106.31 11.84 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.71 -0.478 . . . . 0.17 109.71 173.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.6 t -93.38 17.81 10.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.636 -0.711 . . . . 1.49 111.131 -176.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.405 ' CE3' ' HB2' ' A' ' 8' ' ' NVA . 71.9 t90 -67.42 105.48 1.81 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.49 109.854 178.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' NVA . . . . . 0.405 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -108.13 36.23 2.86 Favored 'General case' 0 C--N 1.349 0.551 0 O-C-N 120.973 -1.08 . . . . 0.34 112.17 175.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.8 t -63.6 -60.34 3.46 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.202 -0.454 . . . . 0.23 109.994 179.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 58.57 69.76 1.19 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.282 -0.485 . . . . 0.5 113.233 175.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -132.5 127.56 35.46 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.477 -0.564 . . . . 2.3 109.477 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.2 mtt180 -104.08 144.62 31.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.191 0.52 . . . . 2.85 111.623 -173.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 50.9 m-85 -132.88 160.84 35.81 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.356 -0.838 . . . . 0.21 109.35 178.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.5 p -103.54 0.68 31.27 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.846 0.355 . . . . 1.14 110.872 178.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 61.7 mtp180 -135.23 136.86 42.07 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.975 -0.557 . . . . 3.72 110.305 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.0 t -69.11 -33.89 74.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.938 -0.573 . . . . 0.81 110.785 -177.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -67.01 -29.6 69.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.925 0.393 . . . . 1.69 110.745 177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -74.22 -43.09 58.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.809 -0.632 . . . . 1.86 109.47 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.489 HD22 ' HB3' ' A' ' 3' ' ' PHE . 45.7 tp -62.64 -41.41 99.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.657 -0.701 . . . . 0.2 110.479 174.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.418 ' OE1' ' HA ' ' A' ' 21' ' ' GLN . 6.4 tp60 -60.88 -47.44 86.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.089 0.471 . . . . 2.4 110.389 176.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 22' ' ' ARG . 43.9 ttm180 -54.92 -48.84 72.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.439 -0.8 . . . . 2.56 110.299 176.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 41.6 t60 -62.71 -46.6 87.35 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.434 -0.803 . . . . 0.14 111.057 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.0 tttm -58.28 -25.42 61.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.702 0.287 . . . . 2.17 111.369 -176.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 21' ' ' GLN . 97.7 mtt180 -69.29 -4.36 17.68 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.532 -0.304 . . . . 3.06 111.665 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.2 p -78.53 -36.99 44.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.112 0.482 . . . . 0.26 109.884 172.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -83.4 -54.54 4.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.973 -0.558 . . . . 0.29 109.583 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.9 p -113.55 75.09 0.9 Allowed 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.496 -0.775 . . . . 1.71 110.428 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -116.96 161.19 13.15 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.742 -0.742 . . . . 2.59 111.717 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -122.2 80.24 1.69 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.754 -0.462 . . . . 5.72 109.754 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -86.82 74.56 9.76 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.715 -0.675 . . . . 7.96 110.594 -177.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.807 0 CA-C-N 115.983 -0.553 . . . . 5.68 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 . . . . . 0 N--CA 1.482 1.135 0 N-CA-C 110.188 -0.301 . . . . 3.28 110.188 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.55 97.16 0.69 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.49 2.127 . . . . 0.96 112.453 178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.437 ' CE1' ' HB3' ' A' ' 17' ' ' SER . 90.6 m-85 -85.23 91.93 8.28 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.299 -0.63 . . . . 0.69 109.299 175.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 37.3 t -75.51 107.99 8.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.842 -0.617 . . . . 0.17 109.506 174.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.8 p -94.74 23.91 5.08 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.923 -0.58 . . . . 1.49 111.578 -173.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.492 ' CE3' ' HG2' ' A' ' 8' ' ' NVA . 62.3 t90 -72.04 103.1 3.15 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 109.522 -0.547 . . . . 0.49 109.522 176.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' NVA . . . . . 0.492 ' HG2' ' CE3' ' A' ' 7' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.19 18.33 22.5 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 121.37 -0.831 . . . . 0.34 113.03 -172.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 46.4 t -69.61 -67.57 0.47 Allowed 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.027 -0.36 . . . . 0.23 110.027 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 56.66 49.03 72.79 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.287 -0.482 . . . . 0.5 113.476 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -99.54 133.52 43.75 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.401 -0.592 . . . . 2.3 109.401 176.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 58.3 mtp180 -107.83 139.9 41.73 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.827 0.346 . . . . 2.85 111.677 -171.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -130.88 162.23 30.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.785 -0.643 . . . . 0.21 110.099 -179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.9 p -100.03 -3.69 31.53 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.014 0.435 . . . . 1.14 111.006 177.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.9 mtp180 -133.61 138.19 45.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.076 -0.511 . . . . 3.72 110.381 -176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.437 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 14.6 p -71.07 -35.9 72.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.653 -0.703 . . . . 0.81 110.67 -177.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -61.67 -33.62 74.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.75 -0.659 . . . . 1.69 110.211 176.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -73.1 -44.41 60.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.677 -0.692 . . . . 1.86 109.705 -177.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.71 -44.62 96.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.606 -0.725 . . . . 0.2 110.642 175.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 49.1 tp60 -62.54 -44.46 96.28 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.939 0.4 . . . . 2.4 110.298 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 46.5 ttt180 -60.56 -47.34 86.63 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.833 -0.621 . . . . 2.56 109.993 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -60.24 -44.7 95.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.729 -0.668 . . . . 0.14 110.714 178.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -56.32 -27.26 55.1 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 120.777 0.323 . . . . 2.17 111.437 -176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -68.34 -5.77 20.62 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.123 -0.49 . . . . 3.06 111.791 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 75.0 p -78.31 -33.56 49.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.901 0.381 . . . . 0.26 110.177 174.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -88.82 -62.65 1.44 Allowed 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 121.123 0.487 . . . . 0.29 109.883 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 28' ' ' THR . 5.1 t -166.43 86.34 0.31 Allowed 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.227 -0.897 . . . . 1.71 110.375 -174.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -153.43 14.63 0.63 Allowed Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.748 -0.739 . . . . 2.59 112.037 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -126.28 65.61 1.23 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.383 0.611 . . . . 5.72 109.976 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -96.8 -64.79 1.01 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.086 0.469 . . . . 7.96 110.396 -178.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 116.127 -0.488 . . . . 5.68 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 1' ' ' ARG . 44.3 mtm180 . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 110.437 -0.208 . . . . 3.28 110.437 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_endo -83.25 132.16 5.98 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.453 2.102 . . . . 0.96 112.193 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.503 ' HB3' HD22 ' A' ' 20' ' ' LEU . 99.3 m-85 -92.88 106.31 18.3 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.882 -0.599 . . . . 0.69 109.813 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 46.5 t -72.41 98.3 2.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.839 -0.619 . . . . 0.17 110.342 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 m -89.05 59.32 4.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.692 0.758 . . . . 1.49 110.041 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . 0.437 ' CE3' ' HB2' ' A' ' 8' ' ' NVA . 74.3 t90 -116.44 109.65 17.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.219 -0.9 . . . . 0.49 109.245 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' NVA . . . . . 0.437 ' HB2' ' CE3' ' A' ' 7' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -109.0 35.03 3.39 Favored 'General case' 0 C--N 1.347 0.466 0 O-C-N 120.928 -1.107 . . . . 0.34 112.339 174.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 38.4 t -69.89 -66.4 0.6 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.772 -0.455 . . . . 0.23 109.772 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 57.13 42.48 93.22 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 121.096 -0.573 . . . . 0.5 114.215 173.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -95.18 136.02 36.03 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.18 -0.674 . . . . 2.3 109.18 174.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.8 mtm180 -109.64 144.11 38.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.102 0.477 . . . . 2.85 111.535 -174.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -131.28 158.69 39.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.53 -0.759 . . . . 0.21 109.969 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.1 p -96.2 -2.55 46.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.411 0.624 . . . . 1.14 110.699 177.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.514 ' HB2' ' HB2' ' A' ' 19' ' ' GLU . 99.2 mtt180 -129.11 132.88 47.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.721 -0.672 . . . . 3.72 109.984 -178.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.433 ' HB3' ' CE1' ' A' ' 3' ' ' PHE . 5.8 p -68.31 -39.68 81.92 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.874 -0.603 . . . . 0.81 110.858 -178.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.32 -25.09 64.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 1.69 110.492 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.514 ' HB2' ' HB2' ' A' ' 16' ' ' ARG . 30.6 tt0 -74.3 -40.91 61.95 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.898 -0.778 . . . . 1.86 108.898 178.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 3' ' ' PHE . 35.3 tp -60.78 -45.9 92.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.599 -0.728 . . . . 0.2 110.408 172.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -60.77 -45.57 93.85 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.391 -0.368 . . . . 2.4 111.188 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -58.89 -50.43 74.03 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.878 -0.416 . . . . 2.56 109.878 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.1 t60 -56.24 -46.73 79.48 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-N 115.98 -0.554 . . . . 0.14 110.522 177.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -54.99 -30.99 60.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.308 -0.406 . . . . 2.17 111.634 -177.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 85.7 mtp180 -68.76 -5.91 23.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.42 -0.354 . . . . 3.06 111.899 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 70.9 p -74.12 -35.42 64.12 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.337 0.589 . . . . 0.26 109.517 171.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -80.07 -54.48 5.74 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 115.59 -0.732 . . . . 0.29 109.233 177.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.9 t -166.93 137.39 3.11 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.709 -0.678 . . . . 1.71 110.817 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.2 -29.97 5.24 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 111.359 -0.696 . . . . 2.59 111.359 175.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -161.4 145.01 12.8 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.415 -0.587 . . . . 5.72 109.415 178.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 56.3 tptt 57.61 69.77 0.71 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.778 0.799 . . . . 7.96 109.983 -176.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.733 0 CA-C-N 115.662 -0.699 . . . . 5.68 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_